V005-2639 Screening compound: tert-butyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V005-2639 Screening compound: tert-butyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V005-2639 Screening compound: tert-butyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2639
tert-butyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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

V005-2639

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

tert-butyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

tert-butyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

CC(C)(C)OC(CSc1nnc(-c2ccncc2)n1-c1c(C)cccc1)=O

InChI

InChI=1S/C20H22N4O2S/c1-14-7-5-6-8-16(14)24-18(15-9-11-21-12-10-15)22-23-19(24)27-13-17(25)26-20(2,3)4/h5-12H,13H2,1-4H3

InChI Key

UCYLXYCJQNJAIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05402604

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.06

Polar Surface Area

53.380

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V005-2639 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V005-2639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2639?
Check Price and Availability of V005-2639, 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 V005-2639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2639
  • 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 V005-2639 available by request