D207-0159 Screening compound: N1-benzyl-N1-[(2-chlorophenyl)methyl]-N4-cyclopentylbenzene-1,4-disulfonamide

D207-0159 Screening compound: N1-benzyl-N1-[(2-chlorophenyl)methyl]-N4-cyclopentylbenzene-1,4-disulfonamide
D207-0159 Screening compound: N1-benzyl-N1-[(2-chlorophenyl)methyl]-N4-cyclopentylbenzene-1,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0159
N1-benzyl-N1-[(2-chlorophenyl)methyl]-N4-cyclopentylbenzene-1,4-disulfonamide

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

D207-0159

Molecular Formula

C25H27ClN2O4S2 (C25 H27 ClN2 O4 S2)

Compound Name

N1-benzyl-N1-[(2-chlorophenyl)methyl]-N4-cyclopentylbenzene-1,4-disulfonamide

IUPAC name

N1-benzyl-N1-[(2-chlorophenyl)methyl]-N4-cyclopentylbenzene-14-disulfonamide

SMILES

O=S(c(cc1)ccc1S(N(Cc1ccccc1)Cc(cccc1)c1Cl)(=O)=O)(NC1CCCC1)=O

InChI

InChI=1S/C25H27ClN2O4S2/c26-25-13-7-4-10-21(25)19-28(18-20-8-2-1-3-9-20)34(31,32)24-16-14-23(15-17-24)33(29,30)27-22-11-5-6-12-22/h1-4,7-10,13-17,22,27H,5-6,11-12,18-19H2

InChI Key

AKRXAOMWADMVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03737002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.09

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.795

Distribution Coefficient, logD

5.795

Water Solubility, LogSw

-5.98

Polar Surface Area

73.405

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D207-0159 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 D207-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0159?
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What is the minimum amount of D207-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0159
  • 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 D207-0159 available by request