T991-1734 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one

T991-1734 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
T991-1734 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-1734
3-[4-(5-chloro-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one

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

T991-1734

Molecular Formula

C20H28ClN3O4S (C20 H28 ClN3 O4 S)

Compound Name

3-[4-(5-chloro-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one

IUPAC name

3-[4-(5-chloro-2-methoxybenzenesulfonyl)-14-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one

SMILES

COc(ccc(Cl)c1)c1S(N(CCC1)CCN1C(CCN1CC2CC2)C1=O)(=O)=O

InChI

InChI=1S/C20H28ClN3O4S/c1-28-18-6-5-16(21)13-19(18)29(26,27)24-9-2-8-22(11-12-24)17-7-10-23(20(17)25)14-15-3-4-15/h5-6,13,15,17H,2-4,7-12,14H2,1H3/t17-/m0/s1

InChI Key

CBKFNUIIULOYIC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29028961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.174

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-2.91

Polar Surface Area

59.785

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

T991-1734 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T991-1734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-1734?
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What is the minimum amount of T991-1734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-1734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-1734
  • 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 T991-1734 available by request