8017-6642 Screening compound: 2-{[2-(3-carboxyanilino)-2-oxoethyl]sulfanyl}benzoic acid
Chemical Structure Depiction of ChemDiv screening compound 8017-6642
2-{[2-(3-carboxyanilino)-2-oxoethyl]sulfanyl}benzoic 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
8017-6642
Molecular Formula
C16H13NO5S (C16 H13 NO5 S)
Compound Name
2-{[2-(3-carboxyanilino)-2-oxoethyl]sulfanyl}benzoic acid
IUPAC name
n/a
SMILES
OC(c1cccc(NC(CSc(cccc2)c2C(O)=O)=O)c1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
331.35
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.091
Distribution Coefficient, logD
0.205
Water Solubility, LogSw
-3.56
Polar Surface Area
79.932
Acid Dissociation Constant (pKa)
4.51
Base Dissociation Constant (pKb)
-1.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.30
8017-6642 in Drug Discovery
Included in Screening Libraries
NOTUM (Wnt signaling) Library (3881 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8017-6642 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)