T991-0677 Screening compound: 4-(1-BENZYL-2-OXOTETRAHYDRO-1H-PYRROL-3-YL)-N-ISOPENTYL-1,4-DIAZEPANE-1-CARBOXAMIDE

T991-0677 Screening compound: 4-(1-BENZYL-2-OXOTETRAHYDRO-1H-PYRROL-3-YL)-N-ISOPENTYL-1,4-DIAZEPANE-1-CARBOXAMIDE
T991-0677 Screening compound: 4-(1-BENZYL-2-OXOTETRAHYDRO-1H-PYRROL-3-YL)-N-ISOPENTYL-1,4-DIAZEPANE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T991-0677
4-(1-BENZYL-2-OXOTETRAHYDRO-1H-PYRROL-3-YL)-N-ISOPENTYL-1,4-DIAZEPANE-1-CARBOXAMIDE

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

T991-0677

Molecular Formula

C22H34N4O2 (C22 H34 N4 O2)

Compound Name

4-(1-BENZYL-2-OXOTETRAHYDRO-1H-PYRROL-3-YL)-N-ISOPENTYL-1,4-DIAZEPANE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)CCNC(N(CCC1)CCN1C(CCN1Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C22H34N4O2/c1-18(2)9-11-23-22(28)25-13-6-12-24(15-16-25)20-10-14-26(21(20)27)17-19-7-4-3-5-8-19/h3-5,7-8,18,20H,6,9-17H2,1-2H3,(H,23,28)/t20-/m0/s1

InChI Key

JRLCGUHTXGACOL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29021157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.243

Water Solubility, LogSw

-2.88

Polar Surface Area

46.825

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

T991-0677 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)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T991-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T991-0677?
Check Price and Availability of T991-0677, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T991-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T991-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T991-0677
  • 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 T991-0677 available by request