V004-8629 Screening compound: N-(butan-2-yl)-4-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V004-8629 Screening compound: N-(butan-2-yl)-4-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V004-8629 Screening compound: N-(butan-2-yl)-4-({[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 V004-8629
N-(butan-2-yl)-4-({[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

V004-8629

Molecular Formula

C25H32N4O2S (C25 H32 N4 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCC(C)NC(c1ccc(CSc2nnc(-c3ccc(C)cc3)n2C(C)COC)cc1)=O

InChI

InChI=1S/C25H32N4O2S/c1-6-18(3)26-24(30)22-13-9-20(10-14-22)16-32-25-28-27-23(29(25)19(4)15-31-5)21-11-7-17(2)8-12-21/h7-14,18-19H,6,15-16H2,1-5H3,(H,26,30)

InChI Key

WNVDRXCNNIEFJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499041

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.122

Water Solubility, LogSw

-4.05

Polar Surface Area

57.451

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V004-8629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8629?
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What is the minimum amount of V004-8629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8629
  • 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 V004-8629 available by request