D030-0179 Screening compound: 4-chloro-N-{2-[(4-fluorophenyl)amino]cyclohexyl}benzene-1-sulfonamide

D030-0179 Screening compound: 4-chloro-N-{2-[(4-fluorophenyl)amino]cyclohexyl}benzene-1-sulfonamide
D030-0179 Screening compound: 4-chloro-N-{2-[(4-fluorophenyl)amino]cyclohexyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D030-0179
4-chloro-N-{2-[(4-fluorophenyl)amino]cyclohexyl}benzene-1-sulfonamide

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

D030-0179

Molecular Formula

C18H20ClFN2O2S (C18 H20 ClFN2 O2 S)

Compound Name

4-chloro-N-{2-[(4-fluorophenyl)amino]cyclohexyl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{2-[(4-fluorophenyl)amino]cyclohexyl}benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Cl)(NC(CCCC1)C1Nc(cc1)ccc1F)=O

InChI

InChI=1S/C18H20ClFN2O2S/c19-13-5-11-16(12-6-13)25(23,24)22-18-4-2-1-3-17(18)21-15-9-7-14(20)8-10-15/h5-12,17-18,21-22H,1-4H2

InChI Key

XNPDGIBJAUUXGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.940

Distribution Coefficient, logD

4.940

Water Solubility, LogSw

-5.02

Polar Surface Area

52.483

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D030-0179 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D030-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D030-0179?
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What is the minimum amount of D030-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D030-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D030-0179
  • 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 D030-0179 available by request