D058-0202 Screening compound: ethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoate

D058-0202 Screening compound: ethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoate
D058-0202 Screening compound: ethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0202
ethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoate

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

D058-0202

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

ethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(13-benzoxazol-2-ylsulfanyl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1nc(cccc2)c2o1)=O)=O

InChI

InChI=1S/C18H16N2O4S/c1-2-23-17(22)12-7-9-13(10-8-12)19-16(21)11-25-18-20-14-5-3-4-6-15(14)24-18/h3-10H,2,11H2,1H3,(H,19,21)

InChI Key

ZNPNSUPAXSQOIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00829343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.13

Polar Surface Area

60.533

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D058-0202 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D058-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0202?
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What is the minimum amount of D058-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0202
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D058-0202 available by request