V004-8668 Screening compound: N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V004-8668 Screening compound: N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V004-8668 Screening compound: N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8668
N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-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

V004-8668

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

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

IUPAC name

N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

CC(COC)n1c(SCc(cccc2)c2C(NCc2ccco2)=O)nnc1-c1ccc(C)cc1

InChI

InChI=1S/C26H28N4O3S/c1-18-10-12-20(13-11-18)24-28-29-26(30(24)19(2)16-32-3)34-17-21-7-4-5-9-23(21)25(31)27-15-22-8-6-14-33-22/h4-14,19H,15-17H2,1-3H3,(H,27,31)/t19-/m0/s1

InChI Key

TYAAZLVIFOENAN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27499063

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.400

Water Solubility, LogSw

-5.37

Polar Surface Area

65.487

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with V004-8668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8668?
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What is the minimum amount of V004-8668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8668
  • 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 V004-8668 available by request