T991-1710 Screening compound: N~1~-(4-chloro-2-methylphenyl)-4-[1-(cyclopropylmethyl)-2-oxotetrahydro-1H-pyrrol-3-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T991-1710
N~1~-(4-chloro-2-methylphenyl)-4-[1-(cyclopropylmethyl)-2-oxotetrahydro-1H-pyrrol-3-yl]-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
T991-1710
Molecular Formula
C21H29ClN4O2 (C21 H29 ClN4 O2)
Compound Name
N~1~-(4-chloro-2-methylphenyl)-4-[1-(cyclopropylmethyl)-2-oxotetrahydro-1H-pyrrol-3-yl]-1,4-diazepane-1-carboxamide
IUPAC name
N-(4-chloro-2-methylphenyl)-4-[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-14-diazepane-1-carboxamide
SMILES
Cc(cc(cc1)Cl)c1NC(N(CCC1)CCN1C(CCN1CC2CC2)C1=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
404.94
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.283
Distribution Coefficient, logD
1.934
Water Solubility, LogSw
-3.55
Polar Surface Area
45.215
Acid Dissociation Constant (pKa)
11.99
Base Dissociation Constant (pKb)
8.73
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
61.90
T991-1710 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Mimetics
- Mimetics
- Cancer
- Hemic and lymphatic
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with T991-1710 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)