8001-9364 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 3-(benzylsulfanyl)-2-(phenylformamido)propanoate

8001-9364 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 3-(benzylsulfanyl)-2-(phenylformamido)propanoate
8001-9364 Screening compound: (2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 3-(benzylsulfanyl)-2-(phenylformamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-9364
(2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 3-(benzylsulfanyl)-2-(phenylformamido)propanoate

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

8001-9364

Molecular Formula

C31H27N5O7S (C31 H27 N5 O7 S)

Compound Name

(2E)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 3-(benzylsulfanyl)-2-(phenylformamido)propanoate

IUPAC name

(2E)-2-[2-(24-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethyl 3-(benzylsulfanyl)-2-(phenylformamido)propanoate

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/COC(C(CSCc1ccccc1)NC(c1ccccc1)=O)=O)\c1ccccc1)=O

InChI

InChI=1S/C31H27N5O7S/c37-30(24-14-8-3-9-15-24)32-28(21-44-20-22-10-4-1-5-11-22)31(38)43-19-27(23-12-6-2-7-13-23)34-33-26-17-16-25(35(39)40)18-29(26)36(41)42/h1-18,28,33H,19-21H2,(H,32,37)/t28-/m0/s1

InChI Key

YLLIXSAYHZBQAS-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02644988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.65

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.534

Distribution Coefficient, logD

6.530

Water Solubility, LogSw

-6.11

Polar Surface Area

131.641

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with 8001-9364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-9364?
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What is the minimum amount of 8001-9364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-9364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-9364
  • 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 8001-9364 available by request