S689-1132 Screening compound: N-(cyclopropylmethyl)-1-[1-(2-methylbenzenesulfonyl)azetidin-3-yl]-5-oxopyrrolidine-3-carboxamide

S689-1132 Screening compound: N-(cyclopropylmethyl)-1-[1-(2-methylbenzenesulfonyl)azetidin-3-yl]-5-oxopyrrolidine-3-carboxamide
S689-1132 Screening compound: N-(cyclopropylmethyl)-1-[1-(2-methylbenzenesulfonyl)azetidin-3-yl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S689-1132
N-(cyclopropylmethyl)-1-[1-(2-methylbenzenesulfonyl)azetidin-3-yl]-5-oxopyrrolidine-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

S689-1132

Molecular Formula

C19H25N3O4S (C19 H25 N3 O4 S)

Compound Name

N-(cyclopropylmethyl)-1-[1-(2-methylbenzenesulfonyl)azetidin-3-yl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(cyclopropylmethyl)-1-[1-(2-methylbenzenesulfonyl)azetidin-3-yl]-5-oxopyrrolidine-3-carboxamide

SMILES

Cc(cccc1)c1S(N(C1)CC1N(CC(C1)C(NCC2CC2)=O)C1=O)(=O)=O

InChI

InChI=1S/C19H25N3O4S/c1-13-4-2-3-5-17(13)27(25,26)21-11-16(12-21)22-10-15(8-18(22)23)19(24)20-9-14-6-7-14/h2-5,14-16H,6-12H2,1H3,(H,20,24)/t15-/m1/s1

InChI Key

PFEYYVDGTALQIK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32225731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.988

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-2.22

Polar Surface Area

73.475

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S689-1132 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S689-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S689-1132?
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What is the minimum amount of S689-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S689-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S689-1132
  • 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 S689-1132 available by request