8008-3561 Screening compound: 2-chloro-5-{4-[4-chloro-3-(diethylsulfamoyl)benzoyl]piperazine-1-carbonyl}-N,N-diethylbenzene-1-sulfonamide

8008-3561 Screening compound: 2-chloro-5-{4-[4-chloro-3-(diethylsulfamoyl)benzoyl]piperazine-1-carbonyl}-N,N-diethylbenzene-1-sulfonamide
8008-3561 Screening compound: 2-chloro-5-{4-[4-chloro-3-(diethylsulfamoyl)benzoyl]piperazine-1-carbonyl}-N,N-diethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3561
2-chloro-5-{4-[4-chloro-3-(diethylsulfamoyl)benzoyl]piperazine-1-carbonyl}-N,N-diethylbenzene-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

8008-3561

Molecular Formula

C26H34Cl2N4O6S2 (C26 H34 Cl2 N4 O6 S2)

Compound Name

2-chloro-5-{4-[4-chloro-3-(diethylsulfamoyl)benzoyl]piperazine-1-carbonyl}-N,N-diethylbenzene-1-sulfonamide

IUPAC name

2-chloro-5-{4-[4-chloro-3-(diethylsulfamoyl)benzoyl]piperazine-1-carbonyl}-NN-diethylbenzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc(cc1)C(N(CC2)CCN2C(c(cc2)cc(S(N(CC)CC)(=O)=O)c2Cl)=O)=O)c1Cl)(=O)=O

InChI

InChI=1S/C26H34Cl2N4O6S2/c1-5-31(6-2)39(35,36)23-17-19(9-11-21(23)27)25(33)29-13-15-30(16-14-29)26(34)20-10-12-22(28)24(18-20)40(37,38)32(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3

InChI Key

GFOGUTWCEAVRSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

633.62

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

2.485

Water Solubility, LogSw

-3.28

Polar Surface Area

95.536

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8008-3561 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 8008-3561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3561?
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What is the minimum amount of 8008-3561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3561
  • 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 8008-3561 available by request