V022-2232 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(3-bromophenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V022-2232 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(3-bromophenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V022-2232 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(3-bromophenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-2232
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(3-bromophenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

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

V022-2232

Molecular Formula

C28H31BrN2O4S (C28 H31 BrN2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(3-bromophenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[1-(3-bromophenyl)-N-(2-methylbutyl)formamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

CCC(C)CN(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(c1cccc(Br)c1)=O

InChI

InChI=1S/C28H31BrN2O4S/c1-4-19(2)14-31(28(33)22-6-5-7-23(29)13-22)17-27(32)30(16-26-20(3)10-11-36-26)15-21-8-9-24-25(12-21)35-18-34-24/h5-13,19H,4,14-18H2,1-3H3/t19-/m0/s1

InChI Key

OUQYQYQSPVTJGV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19758674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.226

Distribution Coefficient, logD

6.226

Water Solubility, LogSw

-5.55

Polar Surface Area

50.267

Acid Dissociation Constant (pKa)

21.43

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V022-2232 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V022-2232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-2232?
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What is the minimum amount of V022-2232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-2232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-2232
  • 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 V022-2232 available by request