V004-8590 Screening compound: N-cyclopropyl-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V004-8590 Screening compound: N-cyclopropyl-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V004-8590 Screening compound: N-cyclopropyl-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8590
N-cyclopropyl-2-({[5-(methoxymethyl)-4-(prop-2-en-1-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

V004-8590

Molecular Formula

C18H22N4O2S (C18 H22 N4 O2 S)

Compound Name

N-cyclopropyl-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-cyclopropyl-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

COCc(n1CC=C)nnc1SCc(cccc1)c1C(NC1CC1)=O

InChI

InChI=1S/C18H22N4O2S/c1-3-10-22-16(11-24-2)20-21-18(22)25-12-13-6-4-5-7-15(13)17(23)19-14-8-9-14/h3-7,14H,1,8-12H2,2H3,(H,19,23)

InChI Key

MAJDAZJQHPHMAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499016

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-2.87

Polar Surface Area

58.360

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with V004-8590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8590?
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What is the minimum amount of V004-8590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8590
  • 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 V004-8590 available by request