8019-9187 Screening compound: 1-benzoyl-3-(2-bromo-4-nitrophenyl)thiourea

8019-9187 Screening compound: 1-benzoyl-3-(2-bromo-4-nitrophenyl)thiourea
8019-9187 Screening compound: 1-benzoyl-3-(2-bromo-4-nitrophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9187
1-benzoyl-3-(2-bromo-4-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

8019-9187

Molecular Formula

C14H10BrN3O3S (C14 H10 BrN3 O3 S)

Compound Name

1-benzoyl-3-(2-bromo-4-nitrophenyl)thiourea

IUPAC name

1-benzoyl-3-(2-bromo-4-nitrophenyl)thiourea

SMILES

[O-][N+](c(cc1)cc(Br)c1NC(NC(c1ccccc1)=O)=S)=O

InChI

InChI=1S/C14H10BrN3O3S/c15-11-8-10(18(20)21)6-7-12(11)16-14(22)17-13(19)9-4-2-1-3-5-9/h1-8H,(H2,16,17,19,22)

InChI Key

GDTZBTWYUGROKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00761151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.22

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

4.086

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.34

Polar Surface Area

65.923

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

-7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8019-9187 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8019-9187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9187?
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What is the minimum amount of 8019-9187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9187
  • 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 8019-9187 available by request