8007-3587 Screening compound: 3-[(E)-[(4-chloro-3-nitrophenyl)methylidene]amino]-1-(3-methylphenyl)thiourea

8007-3587 Screening compound: 3-[(E)-[(4-chloro-3-nitrophenyl)methylidene]amino]-1-(3-methylphenyl)thiourea
8007-3587 Screening compound: 3-[(E)-[(4-chloro-3-nitrophenyl)methylidene]amino]-1-(3-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3587
3-[(E)-[(4-chloro-3-nitrophenyl)methylidene]amino]-1-(3-methylphenyl)thiourea

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

8007-3587

Molecular Formula

C15H13ClN4O2S (C15 H13 ClN4 O2 S)

Compound Name

3-[(E)-[(4-chloro-3-nitrophenyl)methylidene]amino]-1-(3-methylphenyl)thiourea

IUPAC name

3-[(E)-[(4-chloro-3-nitrophenyl)methylidene]amino]-1-(3-methylphenyl)thiourea

SMILES

Cc1cccc(NC(N/N=C/c(cc2)cc([N+]([O-])=O)c2Cl)=S)c1

InChI

InChI=1S/C15H13ClN4O2S/c1-10-3-2-4-12(7-10)18-15(23)19-17-9-11-5-6-13(16)14(8-11)20(21)22/h2-9H,1H3,(H2,18,19,23)

InChI Key

VFQQMNPIPMXSQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00594279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-5.07

Polar Surface Area

64.366

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8007-3587 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8007-3587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3587?
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What is the minimum amount of 8007-3587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3587
  • 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 8007-3587 available by request