V027-9782 Screening compound: 2-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide

V027-9782 Screening compound: 2-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
V027-9782 Screening compound: 2-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9782
2-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-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

V027-9782

Molecular Formula

C26H22N4O4S (C26 H22 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1c(SCc(cccc2)c2C(NCc2ccco2)=O)nnc1-c1ccco1

InChI

InChI=1S/C26H22N4O4S/c1-32-20-12-10-19(11-13-20)30-24(23-9-5-15-34-23)28-29-26(30)35-17-18-6-2-3-8-22(18)25(31)27-16-21-7-4-14-33-21/h2-15H,16-17H2,1H3,(H,27,31)

InChI Key

KFPIOATWCOLVKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632481

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.55

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

5.098

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-4.86

Polar Surface Area

72.997

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with V027-9782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9782?
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What is the minimum amount of V027-9782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9782
  • 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 V027-9782 available by request