6712-0003 Screening compound: 2-{2-[(4-bromophenyl)amino]-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl}acetic acid

6712-0003 Screening compound: 2-{2-[(4-bromophenyl)amino]-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl}acetic acid
6712-0003 Screening compound: 2-{2-[(4-bromophenyl)amino]-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6712-0003
2-{2-[(4-bromophenyl)amino]-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl}acetic 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

6712-0003

Molecular Formula

C19H17BrN2O2S (C19 H17 BrN2 O2 S)

Compound Name

2-{2-[(4-bromophenyl)amino]-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl}acetic acid

IUPAC name

2-{2-[(4-bromophenyl)amino]-4-(24-dimethylphenyl)-13-thiazol-5-yl}acetic acid

SMILES

Cc(cc1)cc(C)c1-c1c(CC(O)=O)sc(Nc(cc2)ccc2Br)n1

InChI

InChI=1S/C19H17BrN2O2S/c1-11-3-8-15(12(2)9-11)18-16(10-17(23)24)25-19(22-18)21-14-6-4-13(20)5-7-14/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)

InChI Key

URLNZKOZKSOTOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03042633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.246

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-5.25

Polar Surface Area

48.080

Acid Dissociation Constant (pKa)

3.84

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6712-0003 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6712-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6712-0003?
Check Price and Availability of 6712-0003, 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 6712-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6712-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6712-0003
  • 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 6712-0003 available by request