V025-6563 Screening compound: N-{3-[(N-benzyl4-fluorobenzenesulfonamido)methyl]-4-(dimethylamino)phenyl}cyclopentanecarboxamide

V025-6563 Screening compound: N-{3-[(N-benzyl4-fluorobenzenesulfonamido)methyl]-4-(dimethylamino)phenyl}cyclopentanecarboxamide
V025-6563 Screening compound: N-{3-[(N-benzyl4-fluorobenzenesulfonamido)methyl]-4-(dimethylamino)phenyl}cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-6563
N-{3-[(N-benzyl4-fluorobenzenesulfonamido)methyl]-4-(dimethylamino)phenyl}cyclopentanecarboxamide

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

V025-6563

Molecular Formula

C28H32FN3O3S (C28 H32 FN3 O3 S)

Compound Name

N-{3-[(N-benzyl4-fluorobenzenesulfonamido)methyl]-4-(dimethylamino)phenyl}cyclopentanecarboxamide

IUPAC name

N-{3-[(N-benzyl4-fluorobenzenesulfonamido)methyl]-4-(dimethylamino)phenyl}cyclopentanecarboxamide

SMILES

CN(C)c(cc1)c(CN(Cc2ccccc2)S(c(cc2)ccc2F)(=O)=O)cc1NC(C1CCCC1)=O

InChI

InChI=1S/C28H32FN3O3S/c1-31(2)27-17-14-25(30-28(33)22-10-6-7-11-22)18-23(27)20-32(19-21-8-4-3-5-9-21)36(34,35)26-15-12-24(29)13-16-26/h3-5,8-9,12-18,22H,6-7,10-11,19-20H2,1-2H3,(H,30,33)

InChI Key

WBDLEBPVIVGWAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19810156

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-5.30

Polar Surface Area

57.495

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V025-6563 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 V025-6563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-6563?
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What is the minimum amount of V025-6563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-6563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-6563
  • 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 V025-6563 available by request