D715-1296 Screening compound: 4-{[2-({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound D715-1296
4-{[2-({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid
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
D715-1296
Molecular Formula
C25H31NO6 (C25 H31 NO6)
Compound Name
4-{[2-({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid
IUPAC name
(1r4r)-4-{[2-({3-methyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-1-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid
SMILES
CC(C(NC[C@H](CC1)CC[C@@H]1C(O)=O)=O)Oc1cc(C)cc(O2)c1C(CCCC1)=C1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
441.52
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.150
Distribution Coefficient, logD
1.590
Water Solubility, LogSw
-4.17
Polar Surface Area
80.970
Acid Dissociation Constant (pKa)
4.84
Base Dissociation Constant (pKb)
-0.02
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
56.00
D715-1296 in Drug Discovery
Included in Screening Libraries
3D Mimetics PPI Library (1617 compounds)
Anticancer Library (62698 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Mimetics
- 3D
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with D715-1296 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)