4469-0504 Screening compound: 4-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino}benzoic acid

4469-0504 Screening compound: 4-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino}benzoic acid
4469-0504 Screening compound: 4-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4469-0504
4-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino}benzoic acid

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

4469-0504

Molecular Formula

C16H11BrN2O2S (C16 H11 BrN2 O2 S)

Compound Name

4-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino}benzoic acid

IUPAC name

4-{[4-(4-bromophenyl)-13-thiazol-2-yl]amino}benzoic acid

SMILES

OC(c(cc1)ccc1Nc1nc(-c(cc2)ccc2Br)cs1)=O

InChI

InChI=1S/C16H11BrN2O2S/c17-12-5-1-10(2-6-12)14-9-22-16(19-14)18-13-7-3-11(4-8-13)15(20)21/h1-9H,(H,18,19)(H,20,21)

InChI Key

GWDLZOHTCCACCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.968

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-5.90

Polar Surface Area

47.334

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4469-0504 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Ion Channels

References: we are preparing a list of scientific research reports with 4469-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4469-0504?
Check Price and Availability of 4469-0504, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4469-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4469-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4469-0504
  • 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 4469-0504 available by request