3338-5931 Screening compound: N-(4-{[4-(4-acetamidobenzenesulfonyl)piperazin-1-yl]sulfonyl}phenyl)acetamide

3338-5931 Screening compound: N-(4-{[4-(4-acetamidobenzenesulfonyl)piperazin-1-yl]sulfonyl}phenyl)acetamide
3338-5931 Screening compound: N-(4-{[4-(4-acetamidobenzenesulfonyl)piperazin-1-yl]sulfonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-5931
N-(4-{[4-(4-acetamidobenzenesulfonyl)piperazin-1-yl]sulfonyl}phenyl)acetamide

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

3338-5931

Molecular Formula

C20H24N4O6S2 (C20 H24 N4 O6 S2)

Compound Name

N-(4-{[4-(4-acetamidobenzenesulfonyl)piperazin-1-yl]sulfonyl}phenyl)acetamide

IUPAC name

N-(4-{[4-(4-acetamidobenzenesulfonyl)piperazin-1-yl]sulfonyl}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1S(N(CC1)CCN1S(c(cc1)ccc1NC(C)=O)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C20H24N4O6S2/c1-15(25)21-17-3-7-19(8-4-17)31(27,28)23-11-13-24(14-12-23)32(29,30)20-9-5-18(6-10-20)22-16(2)26/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)

InChI Key

BWOVUKHJOVWWQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01573968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.839

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-2.35

Polar Surface Area

109.992

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3338-5931 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3338-5931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-5931?
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What is the minimum amount of 3338-5931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-5931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-5931
  • 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 3338-5931 available by request