G639-1308 Screening compound: 1-(pyridin-2-yl)-4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine
Chemical Structure Depiction of ChemDiv screening compound G639-1308
1-(pyridin-2-yl)-4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine
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
G639-1308
Molecular Formula
C24H27N7O2 (C24 H27 N7 O2)
Compound Name
1-(pyridin-2-yl)-4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine
IUPAC name
1-(pyridin-2-yl)-4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine
SMILES
O=C(C(CC1)CCN1C(c1n[nH]c(-c2ccncc2)c1)=O)N(CC1)CCN1c1ncccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
445.52
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.914
Distribution Coefficient, logD
1.905
Water Solubility, LogSw
-2.05
Polar Surface Area
77.225
Acid Dissociation Constant (pKa)
11.74
Base Dissociation Constant (pKb)
5.71
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.50
G639-1308 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with G639-1308 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)