8003-4340 Screening compound: 2-chloro-5-nitrobenzaldehyde 1-{4-{4-[2-({4-{2-[(E)-1-(2-chloro-5-nitrophenyl)methylidene]hydrazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}amino)ethyl]piperazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazone

8003-4340 Screening compound: 2-chloro-5-nitrobenzaldehyde 1-{4-{4-[2-({4-{2-[(E)-1-(2-chloro-5-nitrophenyl)methylidene]hydrazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}amino)ethyl]piperazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazone
8003-4340 Screening compound: 2-chloro-5-nitrobenzaldehyde 1-{4-{4-[2-({4-{2-[(E)-1-(2-chloro-5-nitrophenyl)methylidene]hydrazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}amino)ethyl]piperazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4340
2-chloro-5-nitrobenzaldehyde 1-{4-{4-[2-({4-{2-[(E)-1-(2-chloro-5-nitrophenyl)methylidene]hydrazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}amino)ethyl]piperazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazone

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8003-4340

Molecular Formula

C40H33Cl2F6N17O4 (C40 H33 Cl2 F6 N17 O4)

Compound Name

2-chloro-5-nitrobenzaldehyde 1-{4-{4-[2-({4-{2-[(E)-1-(2-chloro-5-nitrophenyl)methylidene]hydrazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}amino)ethyl]piperazino}-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazone

IUPAC name

6-[(2E)-2-[(2-chloro-5-nitrophenyl)methylidene]hydrazin-1-yl]-N2-[2-(4-{4-[(2E)-2-[(2-chloro-5-nitrophenyl)methylidene]hydrazin-1-yl]-6-{[3-(trifluoromethyl)phenyl]amino}-135-triazin-2-yl}piperazin-1-yl)ethyl]-N4-[3-(trifluoromethyl)phenyl]-135-triazine-24-diamine

SMILES

[O-][N+](c(cc1)cc(/C=N/Nc2nc(Nc3cc(C(F)(F)F)ccc3)nc(NCCN(CC3)CCN3c3nc(Nc4cc(C(F)(F)F)ccc4)nc(N/N=C/c(cc(cc4)[N+]([O-])=O)c4Cl)n3)n2)c1Cl)=O

InChI

InChI=1S/C40H33Cl2F6N17O4/c41-31-9-7-29(64(66)67)17-23(31)21-50-60-36-55-33(54-34(56-36)52-27-5-1-3-25(19-27)39(43,44)45)49-11-12-62-13-15-63(16-14-62)38-58-35(53-28-6-2-4-26(20-28)40(46,47)48)57-37(59-38)61-51-22-24-18-30(65(68)69)8-10-32(24)42/h1-10,17-22H,11-16H2,(H2,53,57,58,59,61)(H3,49,52,54,55,56,60)

InChI Key

CAJFNYUWOAUTQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

1000.71

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

21

Partition Coefficient, logP

13.001

Distribution Coefficient, logD

12.856

Water Solubility, LogSw

-7.11

Polar Surface Area

208.750

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8003-4340 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8003-4340 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4340
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8003-4340 available by request