T991-1528 Screening compound: 3-{4-[2-(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)-2-pyrrolidinone

T991-1528 Screening compound: 3-{4-[2-(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)-2-pyrrolidinone
T991-1528 Screening compound: 3-{4-[2-(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-1528
3-{4-[2-(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)-2-pyrrolidinone

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

T991-1528

Molecular Formula

C22H30ClN3O3 (C22 H30 ClN3 O3)

Compound Name

3-{4-[2-(2-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl}-1-(cyclopropylmethyl)-2-pyrrolidinone

IUPAC name

3-{4-[2-(2-chloro-4-methoxyphenyl)acetyl]-14-diazepan-1-yl}-1-(cyclopropylmethyl)pyrrolidin-2-one

SMILES

COc1cc(Cl)c(CC(N(CCC2)CCN2C(CCN2CC3CC3)C2=O)=O)cc1

InChI

InChI=1S/C22H30ClN3O3/c1-29-18-6-5-17(19(23)14-18)13-21(27)25-9-2-8-24(11-12-25)20-7-10-26(22(20)28)15-16-3-4-16/h5-6,14,16,20H,2-4,7-13,15H2,1H3/t20-/m0/s1

InChI Key

NBMKWZZOFKYZAQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29028860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-3.39

Polar Surface Area

44.108

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

T991-1528 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T991-1528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-1528?
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What is the minimum amount of T991-1528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-1528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-1528
  • 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 T991-1528 available by request