6712-0008 Screening compound: 2-{2-[(3-chloro-4-methylphenyl)amino]-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl}acetic acid

6712-0008 Screening compound: 2-{2-[(3-chloro-4-methylphenyl)amino]-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl}acetic acid
6712-0008 Screening compound: 2-{2-[(3-chloro-4-methylphenyl)amino]-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6712-0008
2-{2-[(3-chloro-4-methylphenyl)amino]-4-(2,5-dimethoxyphenyl)-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

6712-0008

Molecular Formula

C20H19ClN2O4S (C20 H19 ClN2 O4 S)

Compound Name

2-{2-[(3-chloro-4-methylphenyl)amino]-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl}acetic acid

IUPAC name

2-{2-[(3-chloro-4-methylphenyl)amino]-4-(25-dimethoxyphenyl)-13-thiazol-5-yl}acetic acid

SMILES

Cc(ccc(Nc1nc(-c(cc(cc2)OC)c2OC)c(CC(O)=O)s1)c1)c1Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-11-4-5-12(8-15(11)21)22-20-23-19(17(28-20)10-18(24)25)14-9-13(26-2)6-7-16(14)27-3/h4-9H,10H2,1-3H3,(H,22,23)(H,24,25)

InChI Key

SIKWNCAICRYPIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.813

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-5.59

Polar Surface Area

63.254

Acid Dissociation Constant (pKa)

3.84

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6712-0008 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6712-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6712-0008?
Check Price and Availability of 6712-0008, 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 6712-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6712-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6712-0008
  • 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 6712-0008 available by request