8016-0812 Screening compound: methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-2-phenylacetate

8016-0812 Screening compound: methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-2-phenylacetate
8016-0812 Screening compound: methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0812
methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-2-phenylacetate

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

8016-0812

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-2-phenylacetate

IUPAC name

methyl 2-[2-(13-benzoxazol-2-ylsulfanyl)acetamido]-2-phenylacetate

SMILES

COC(C(c1ccccc1)NC(CSc1nc(cccc2)c2o1)=O)=O

InChI

InChI=1S/C18H16N2O4S/c1-23-17(22)16(12-7-3-2-4-8-12)20-15(21)11-25-18-19-13-9-5-6-10-14(13)24-18/h2-10,16H,11H2,1H3,(H,20,21)/t16-/m1/s1

InChI Key

RAZFTAQRNQNCRG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05260085

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

2.827

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-3.27

Polar Surface Area

61.628

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8016-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0812?
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What is the minimum amount of 8016-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0812
  • 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 8016-0812 available by request