V029-5201 Screening compound: 2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid

V029-5201 Screening compound: 2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid
V029-5201 Screening compound: 2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5201
2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic 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

V029-5201

Molecular Formula

C19H14ClN5O2S2 (C19 H14 ClN5 O2 S2)

Compound Name

2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid

IUPAC name

2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-13-thiazole-4-carboxylic acid

SMILES

Cc(ccc(Cl)c1)c1-n1c(SCc2nc(C(O)=O)cs2)nnc1-c1ccncc1

InChI

InChI=1S/C19H14ClN5O2S2/c1-11-2-3-13(20)8-15(11)25-17(12-4-6-21-7-5-12)23-24-19(25)29-10-16-22-14(9-28-16)18(26)27/h2-9H,10H2,1H3,(H,26,27)

InChI Key

ISNNSJSJCGPBDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19733564

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

0.514

Water Solubility, LogSw

-4.07

Polar Surface Area

72.749

Acid Dissociation Constant (pKa)

3.97

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

V029-5201 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V029-5201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5201?
Check Price and Availability of V029-5201, 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 V029-5201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5201
  • 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 V029-5201 available by request