V013-0517 Screening compound: 5-[(4-benzylpiperidino)sulfonyl]-N-(2-propylphenyl)-2-furamide

V013-0517 Screening compound: 5-[(4-benzylpiperidino)sulfonyl]-N-(2-propylphenyl)-2-furamide
V013-0517 Screening compound: 5-[(4-benzylpiperidino)sulfonyl]-N-(2-propylphenyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0517
5-[(4-benzylpiperidino)sulfonyl]-N-(2-propylphenyl)-2-furamide

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

V013-0517

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

5-[(4-benzylpiperidino)sulfonyl]-N-(2-propylphenyl)-2-furamide

IUPAC name

5-[(4-benzylpiperidin-1-yl)sulfonyl]-N-(2-propylphenyl)furan-2-carboxamide

SMILES

CCCc(cccc1)c1NC(c(o1)ccc1S(N1CCC(Cc2ccccc2)CC1)(=O)=O)=O

InChI

InChI=1S/C26H30N2O4S/c1-2-8-22-11-6-7-12-23(22)27-26(29)24-13-14-25(32-24)33(30,31)28-17-15-21(16-18-28)19-20-9-4-3-5-10-20/h3-7,9-14,21H,2,8,15-19H2,1H3,(H,27,29)

InChI Key

YAEUSIASECCHFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.320

Distribution Coefficient, logD

6.319

Water Solubility, LogSw

-5.59

Polar Surface Area

62.963

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

V013-0517 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0517?
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What is the minimum amount of V013-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0517
  • 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 V013-0517 available by request