V030-0407 Screening compound: 3-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide

V030-0407 Screening compound: 3-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
V030-0407 Screening compound: 3-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0407
3-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)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

V030-0407

Molecular Formula

C27H23N5O2S (C27 H23 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCc3cc(C(NCc4ccncc4)=O)ccc3)nnc2-c2ccco2)c1

InChI

InChI=1S/C27H23N5O2S/c1-19-5-2-8-23(15-19)32-25(24-9-4-14-34-24)30-31-27(32)35-18-21-6-3-7-22(16-21)26(33)29-17-20-10-12-28-13-11-20/h2-16H,17-18H2,1H3,(H,29,33)

InChI Key

ZSODIWFMHJPUCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633761

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-3.92

Polar Surface Area

67.132

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with V030-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0407?
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What is the minimum amount of V030-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0407
  • 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 V030-0407 available by request