V014-7827 Screening compound: 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

V014-7827 Screening compound: 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
V014-7827 Screening compound: 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-7827
2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

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

V014-7827

Molecular Formula

C22H24N4O3S (C22 H24 N4 O3 S)

Compound Name

2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-{[5-(35-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

COc1cc(-c(n2-c3ccccc3)nnc2SCC(N2CCCC2)=O)cc(OC)c1

InChI

InChI=1S/C22H24N4O3S/c1-28-18-12-16(13-19(14-18)29-2)21-23-24-22(26(21)17-8-4-3-5-9-17)30-15-20(27)25-10-6-7-11-25/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3

InChI Key

IGTHJNMYVLEPAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843530

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.94

Polar Surface Area

56.559

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V014-7827 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V014-7827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-7827?
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What is the minimum amount of V014-7827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-7827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-7827
  • 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 V014-7827 available by request