4567-1857 Screening compound: 4-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]benzamide

4567-1857 Screening compound: 4-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]benzamide
4567-1857 Screening compound: 4-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4567-1857
4-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]benzamide

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

4567-1857

Molecular Formula

C25H26ClN3O6S2 (C25 H26 ClN3 O6 S2)

Compound Name

4-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]benzamide

IUPAC name

4-{N-[(2-chlorophenyl)methyl]methanesulfonamido}-N-[4-(morpholine-4-sulfonyl)phenyl]benzamide

SMILES

CS(N(Cc(cccc1)c1Cl)c(cc1)ccc1C(Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)(=O)=O

InChI

InChI=1S/C25H26ClN3O6S2/c1-36(31,32)29(18-20-4-2-3-5-24(20)26)22-10-6-19(7-11-22)25(30)27-21-8-12-23(13-9-21)37(33,34)28-14-16-35-17-15-28/h2-13H,14-18H2,1H3,(H,27,30)

InChI Key

QNZDWDYZBHUZOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.08

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.86

Polar Surface Area

94.267

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4567-1857 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 4567-1857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4567-1857?
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What is the minimum amount of 4567-1857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4567-1857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4567-1857
  • 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 4567-1857 available by request