T991-1946 Screening compound: 1-(2-methoxyethyl)-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one

T991-1946 Screening compound: 1-(2-methoxyethyl)-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
T991-1946 Screening compound: 1-(2-methoxyethyl)-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-1946
1-(2-methoxyethyl)-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-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

T991-1946

Molecular Formula

C18H28N4O3 (C18 H28 N4 O3)

Compound Name

1-(2-methoxyethyl)-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one

IUPAC name

1-(2-methoxyethyl)-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-14-diazepan-1-yl]pyrrolidin-2-one

SMILES

Cn1c(C(N(CCC2)CCN2C(CCN2CCOC)C2=O)=O)ccc1

InChI

InChI=1S/C18H28N4O3/c1-19-7-3-5-15(19)17(23)21-9-4-8-20(11-12-21)16-6-10-22(18(16)24)13-14-25-2/h3,5,7,16H,4,6,8-14H2,1-2H3/t16-/m0/s1

InChI Key

SJSWCDOSMVSGCT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27624581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.750

Distribution Coefficient, logD

0.739

Water Solubility, LogSw

-1.13

Polar Surface Area

47.578

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

T991-1946 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T991-1946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-1946?
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What is the minimum amount of T991-1946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-1946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-1946
  • 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 T991-1946 available by request