T991-1782 Screening compound: 1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one

T991-1782 Screening compound: 1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
T991-1782 Screening compound: 1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-1782
1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]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

T991-1782

Molecular Formula

C22H31N3O3S (C22 H31 N3 O3 S)

Compound Name

1-(cyclopropylmethyl)-3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one

IUPAC name

1-(cyclopropylmethyl)-3-[4-(23-dihydro-1H-indene-5-sulfonyl)-14-diazepan-1-yl]pyrrolidin-2-one

SMILES

O=C1N(CC2CC2)CCC1N(CCC1)CCN1S(c1cc(CCC2)c2cc1)(=O)=O

InChI

InChI=1S/C22H31N3O3S/c26-22-21(9-12-24(22)16-17-5-6-17)23-10-2-11-25(14-13-23)29(27,28)20-8-7-18-3-1-4-19(18)15-20/h7-8,15,17,21H,1-6,9-14,16H2/t21-/m0/s1

InChI Key

IYTUDOSOEZPCJB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29029002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.32

Polar Surface Area

52.441

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

T991-1782 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 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:
  • Cancer
  • Hemic and lymphatic
  • 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 T991-1782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-1782?
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What is the minimum amount of T991-1782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-1782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-1782
  • 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 T991-1782 available by request