1682-7258 Screening compound: 1-(4-chlorobenzoyl)-3-(2-nitrophenyl)thiourea

1682-7258 Screening compound: 1-(4-chlorobenzoyl)-3-(2-nitrophenyl)thiourea
1682-7258 Screening compound: 1-(4-chlorobenzoyl)-3-(2-nitrophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-7258
1-(4-chlorobenzoyl)-3-(2-nitrophenyl)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

1682-7258

Molecular Formula

C14H10ClN3O3S (C14 H10 ClN3 O3 S)

Compound Name

1-(4-chlorobenzoyl)-3-(2-nitrophenyl)thiourea

IUPAC name

1-(4-chlorobenzoyl)-3-(2-nitrophenyl)thiourea

SMILES

[O-][N+](c(cccc1)c1NC(NC(c(cc1)ccc1Cl)=O)=S)=O

InChI

InChI=1S/C14H10ClN3O3S/c15-10-7-5-9(6-8-10)13(19)17-14(22)16-11-3-1-2-4-12(11)18(20)21/h1-8H,(H2,16,17,19,22)

InChI Key

YUMNQHKGCMNZDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.65

Polar Surface Area

65.623

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1682-7258 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1682-7258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-7258?
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What is the minimum amount of 1682-7258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-7258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-7258
  • 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 1682-7258 available by request