D731-0198 Screening compound: 4-(5-chloro-2,1-benzoxazol-3-yl)phenol
Chemical Structure Depiction of ChemDiv screening compound D731-0198
4-(5-chloro-2,1-benzoxazol-3-yl)phenol
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
D731-0198
Molecular Formula
C13H8ClNO2 (C13 H8 ClNO2)
Compound Name
4-(5-chloro-2,1-benzoxazol-3-yl)phenol
IUPAC name
4-(5-chloro-21-benzoxazol-3-yl)phenol
SMILES
Oc(cc1)ccc1-c1c(cc(cc2)Cl)c2no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
245.66
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.994
Distribution Coefficient, logD
3.991
Water Solubility, LogSw
-4.34
Polar Surface Area
39.339
Acid Dissociation Constant (pKa)
9.57
Base Dissociation Constant (pKb)
-1.18
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
D731-0198 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
CNS targets activity set (6557 compounds)
Cardiovascular Library (22201 compounds)
Carbonic Anhydrase II Library (4939 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cardiovascular
- Epigenetic
References: we are preparing a list of scientific research reports with D731-0198 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)