V025-3746 Screening compound: N-(butan-2-yl)-4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V025-3746 Screening compound: N-(butan-2-yl)-4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V025-3746 Screening compound: N-(butan-2-yl)-4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3746
N-(butan-2-yl)-4-({[4-ethyl-5-(4-nitrophenyl)-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

V025-3746

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

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

IUPAC name

N-(butan-2-yl)-4-({[4-ethyl-5-(4-nitrophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

CCC(C)NC(c1ccc(CSc2nnc(-c(cc3)ccc3[N+]([O-])=O)n2CC)cc1)=O

InChI

InChI=1S/C22H25N5O3S/c1-4-15(3)23-21(28)18-8-6-16(7-9-18)14-31-22-25-24-20(26(22)5-2)17-10-12-19(13-11-17)27(29)30/h6-13,15H,4-5,14H2,1-3H3,(H,23,28)/t15-/m0/s1

InChI Key

LJEXCHNIXQQYSN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19781865

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-3.94

Polar Surface Area

81.473

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V025-3746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3746?
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What is the minimum amount of V025-3746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3746
  • 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 V025-3746 available by request