V022-2234 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V022-2234 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V022-2234 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-2234
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-methoxyphenyl)-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

V022-2234

Molecular Formula

C31H25N5O6S (C31 H25 N5 O6 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

COc(cccc1)c1-n1c(SCc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)nnc1-c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C31H25N5O6S/c1-40-26-5-3-2-4-25(26)35-29(22-11-13-24(14-12-22)36(38)39)33-34-31(35)43-18-20-6-9-23(10-7-20)30(37)32-17-21-8-15-27-28(16-21)42-19-41-27/h2-16H,17-19H2,1H3,(H,32,37)

InChI Key

JJMKBMCDZYXBFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19796050

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

595.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

5.225

Water Solubility, LogSw

-5.06

Polar Surface Area

106.952

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with V022-2234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-2234?
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What is the minimum amount of V022-2234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-2234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-2234
  • 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 V022-2234 available by request