S963-0222 Screening compound: 4-(3,5-dimethylbenzenesulfonamido)-N,1-dimethylpyrrolidine-3-carboxamide

S963-0222 Screening compound: 4-(3,5-dimethylbenzenesulfonamido)-N,1-dimethylpyrrolidine-3-carboxamide
S963-0222 Screening compound: 4-(3,5-dimethylbenzenesulfonamido)-N,1-dimethylpyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S963-0222
4-(3,5-dimethylbenzenesulfonamido)-N,1-dimethylpyrrolidine-3-carboxamide

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

S963-0222

Molecular Formula

C15H23N3O3S (C15 H23 N3 O3 S)

Compound Name

4-(3,5-dimethylbenzenesulfonamido)-N,1-dimethylpyrrolidine-3-carboxamide

IUPAC name

(3S4R)-4-(35-dimethylbenzenesulfonamido)-N1-dimethylpyrrolidine-3-carboxamide

SMILES

Cc1cc(S(N[C@@H](CN(C)C2)[C@H]2C(NC)=O)(=O)=O)cc(C)c1

InChI

InChI=1S/C15H23N3O3S/c1-10-5-11(2)7-12(6-10)22(20,21)17-14-9-18(4)8-13(14)15(19)16-3/h5-7,13-14,17H,8-9H2,1-4H3,(H,16,19)/t13-,14-/m0/s1

InChI Key

BQJNVWOSEJWDRU-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.824

Distribution Coefficient, logD

0.135

Water Solubility, LogSw

-2.31

Polar Surface Area

70.870

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

S963-0222 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S963-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S963-0222?
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What is the minimum amount of S963-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S963-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S963-0222
  • 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 S963-0222 available by request