V013-7796 Screening compound: 2-[N-(2-methoxyethyl)benzenesulfonamido]-N-[(4-methylphenyl)methyl]-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide

V013-7796 Screening compound: 2-[N-(2-methoxyethyl)benzenesulfonamido]-N-[(4-methylphenyl)methyl]-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
V013-7796 Screening compound: 2-[N-(2-methoxyethyl)benzenesulfonamido]-N-[(4-methylphenyl)methyl]-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7796
2-[N-(2-methoxyethyl)benzenesulfonamido]-N-[(4-methylphenyl)methyl]-N-[1-(2-phenoxyacetyl)piperidin-4-yl]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

V013-7796

Molecular Formula

C32H39N3O6S (C32 H39 N3 O6 S)

Compound Name

2-[N-(2-methoxyethyl)benzenesulfonamido]-N-[(4-methylphenyl)methyl]-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide

IUPAC name

2-[N-(2-methoxyethyl)benzenesulfonamido]-N-[(4-methylphenyl)methyl]-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide

SMILES

Cc1ccc(CN(C(CC2)CCN2C(COc2ccccc2)=O)C(CN(CCOC)S(c2ccccc2)(=O)=O)=O)cc1

InChI

InChI=1S/C32H39N3O6S/c1-26-13-15-27(16-14-26)23-35(28-17-19-33(20-18-28)32(37)25-41-29-9-5-3-6-10-29)31(36)24-34(21-22-40-2)42(38,39)30-11-7-4-8-12-30/h3-16,28H,17-25H2,1-2H3

InChI Key

ANJJBXBGXRPXPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19970194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.74

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-3.60

Polar Surface Area

78.291

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V013-7796 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V013-7796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7796?
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What is the minimum amount of V013-7796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7796
  • 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 V013-7796 available by request