T991-1978 Screening compound: 1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one

T991-1978 Screening compound: 1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
T991-1978 Screening compound: 1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-1978
1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-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

T991-1978

Molecular Formula

C21H31N3O3S (C21 H31 N3 O3 S)

Compound Name

1-(2-methoxyethyl)-3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one

IUPAC name

1-(2-methoxyethyl)-3-[4-(4567-tetrahydro-1-benzothiophene-2-carbonyl)-14-diazepan-1-yl]pyrrolidin-2-one

SMILES

COCCN(CCC1N(CCC2)CCN2C(c2cc(CCCC3)c3s2)=O)C1=O

InChI

InChI=1S/C21H31N3O3S/c1-27-14-13-24-10-7-17(20(24)25)22-8-4-9-23(12-11-22)21(26)19-15-16-5-2-3-6-18(16)28-19/h15,17H,2-14H2,1H3/t17-/m0/s1

InChI Key

LNAZXQSEKCYUFB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29029109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.043

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.25

Polar Surface Area

46.100

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

T991-1978 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T991-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-1978?
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What is the minimum amount of T991-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-1978
  • 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 T991-1978 available by request