8003-4331 Screening compound: 4-[(2E)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

8003-4331 Screening compound: 4-[(2E)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
8003-4331 Screening compound: 4-[(2E)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4331
4-[(2E)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

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

8003-4331

Molecular Formula

C22H22Cl2N8O3 (C22 H22 Cl2 N8 O3)

Compound Name

4-[(2E)-2-[(2,4-dichloro-5-nitrophenyl)methylidene]hydrazin-1-yl]-N-(2,5-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(2E)-2-[(24-dichloro-5-nitrophenyl)methylidene]hydrazin-1-yl]-N-(25-dimethylphenyl)-6-(morpholin-4-yl)-135-triazin-2-amine

SMILES

Cc1cc(Nc2nc(N/N=C/c(c(Cl)c3)cc([N+]([O-])=O)c3Cl)nc(N3CCOCC3)n2)c(C)cc1

InChI

InChI=1S/C22H22Cl2N8O3/c1-13-3-4-14(2)18(9-13)26-20-27-21(29-22(28-20)31-5-7-35-8-6-31)30-25-12-15-10-19(32(33)34)17(24)11-16(15)23/h3-4,9-12H,5-8H2,1-2H3,(H2,26,27,28,29,30)

InChI Key

GAUCYFHZFCXDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00657370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.542

Distribution Coefficient, logD

6.540

Water Solubility, LogSw

-6.34

Polar Surface Area

105.093

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8003-4331 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-4331 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8003-4331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4331
  • 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 8003-4331 available by request