V010-7596 Screening compound: N-[(4-methylphenyl)methyl]-2-[N-(2-methylpropyl)ethanesulfonamido]-N-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetamide

V010-7596 Screening compound: N-[(4-methylphenyl)methyl]-2-[N-(2-methylpropyl)ethanesulfonamido]-N-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetamide
V010-7596 Screening compound: N-[(4-methylphenyl)methyl]-2-[N-(2-methylpropyl)ethanesulfonamido]-N-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-7596
N-[(4-methylphenyl)methyl]-2-[N-(2-methylpropyl)ethanesulfonamido]-N-[1-(2-phenylcyclopropanecarbonyl)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

V010-7596

Molecular Formula

C31H43N3O4S (C31 H43 N3 O4 S)

Compound Name

N-[(4-methylphenyl)methyl]-2-[N-(2-methylpropyl)ethanesulfonamido]-N-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetamide

IUPAC name

N-[(4-methylphenyl)methyl]-2-[N-(2-methylpropyl)ethanesulfonamido]-N-{1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl}acetamide

SMILES

CCS(N(CC(C)C)CC(N(Cc1ccc(C)cc1)C(CC1)CCN1C(C(C1)C1c1ccccc1)=O)=O)(=O)=O

InChI

InChI=1S/C31H43N3O4S/c1-5-39(37,38)33(20-23(2)3)22-30(35)34(21-25-13-11-24(4)12-14-25)27-15-17-32(18-16-27)31(36)29-19-28(29)26-9-7-6-8-10-26/h6-14,23,27-29H,5,15-22H2,1-4H3/t28-,29?/m0/s1

InChI Key

WGFWKOGFYDFOIL-XLTVJXRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.49

Polar Surface Area

63.416

Acid Dissociation Constant (pKa)

18.37

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.80

V010-7596 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V010-7596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-7596?
Check Price and Availability of V010-7596, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V010-7596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-7596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-7596
  • 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 V010-7596 available by request