V015-0513 Screening compound: ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V015-0513 Screening compound: ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V015-0513 Screening compound: ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0513
ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

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

V015-0513

Molecular Formula

C19H20N4O2S (C19 H20 N4 O2 S)

Compound Name

ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)Sc1nnc(-c2cnccc2)n1-c1ccc(C)cc1)=O

InChI

InChI=1S/C19H20N4O2S/c1-4-25-18(24)14(3)26-19-22-21-17(15-6-5-11-20-12-15)23(19)16-9-7-13(2)8-10-16/h5-12,14H,4H2,1-3H3/t14-/m0/s1

InChI Key

YZUDPJVYMVDPQX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19844230

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

368.46

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

3.506

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.33

Polar Surface Area

55.256

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

V015-0513 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V015-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0513?
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What is the minimum amount of V015-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0513
  • 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 V015-0513 available by request