V027-9802 Screening compound: N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V027-9802 Screening compound: N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V027-9802 Screening compound: N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9802
N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V027-9802

Molecular Formula

C27H23N5O3S (C27 H23 N5 O3 S)

Compound Name

N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

COc(cccc1)c1-n1c(SCc(cccc2)c2C(NCc2ccco2)=O)nnc1-c1cnccc1

InChI

InChI=1S/C27H23N5O3S/c1-34-24-13-5-4-12-23(24)32-25(19-9-6-14-28-16-19)30-31-27(32)36-18-20-8-2-3-11-22(20)26(33)29-17-21-10-7-15-35-21/h2-16H,17-18H2,1H3,(H,29,33)

InChI Key

VLZPQUMNSTVUHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632490

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.20

Polar Surface Area

73.722

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

V027-9802 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V027-9802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9802?
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What is the minimum amount of V027-9802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9802
  • 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 V027-9802 available by request