3132-1097 Screening compound: 1-(adamantane-1-carbonyl)-2-[4-(propan-2-yloxy)phenyl]-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Chemical Structure Depiction of ChemDiv screening compound 3132-1097
1-(adamantane-1-carbonyl)-2-[4-(propan-2-yloxy)phenyl]-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
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
3132-1097
Molecular Formula
C34H35N3O2 (C34 H35 N3 O2)
Compound Name
1-(adamantane-1-carbonyl)-2-[4-(propan-2-yloxy)phenyl]-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
IUPAC name
1-(adamantane-1-carbonyl)-2-[4-(propan-2-yloxy)phenyl]-1H2H3H3aH-pyrrolo[12-a]quinoline-33-dicarbonitrile
SMILES
CC(C)Oc1ccc(C(C(C(C2(CC(C3)C4)CC4CC3C2)=O)N2c(cccc3)c3C=CC22)C2(C#N)C#N)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
517.67
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
7.334
Distribution Coefficient, logD
7.290
Water Solubility, LogSw
-5.81
Polar Surface Area
56.647
Acid Dissociation Constant (pKa)
8.37
Base Dissociation Constant (pKb)
-8.93
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
50.00
3132-1097 in Drug Discovery
Included in Screening Libraries
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with 3132-1097 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)