V002-7828 Screening compound: methyl 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V002-7828 Screening compound: methyl 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V002-7828 Screening compound: methyl 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7828
methyl 2-{[4-(3-methylphenyl)-5-(thiophen-2-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

V002-7828

Molecular Formula

C17H17N3O2S2 (C17 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(OC)=O)Sc1nnc(-c2cccs2)n1-c1cc(C)ccc1

InChI

InChI=1S/C17H17N3O2S2/c1-11-6-4-7-13(10-11)20-15(14-8-5-9-23-14)18-19-17(20)24-12(2)16(21)22-3/h4-10,12H,1-3H3/t12-/m0/s1

InChI Key

BHCHHMIINPBARO-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19844375

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.40

Polar Surface Area

47.176

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with V002-7828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7828?
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What is the minimum amount of V002-7828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7828
  • 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 V002-7828 available by request