8017-0983 Screening compound: methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(benzylsulfanyl)propanoate

8017-0983 Screening compound: methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(benzylsulfanyl)propanoate
8017-0983 Screening compound: methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(benzylsulfanyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0983
methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(benzylsulfanyl)propanoate

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

8017-0983

Molecular Formula

C20H20N2O4S2 (C20 H20 N2 O4 S2)

Compound Name

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

IUPAC name

methyl 2-[2-(13-benzoxazol-2-ylsulfanyl)acetamido]-3-(benzylsulfanyl)propanoate

SMILES

COC(C(CSCc1ccccc1)NC(CSc1nc(cccc2)c2o1)=O)=O

InChI

InChI=1S/C20H20N2O4S2/c1-25-19(24)16(12-27-11-14-7-3-2-4-8-14)21-18(23)13-28-20-22-15-9-5-6-10-17(15)26-20/h2-10,16H,11-13H2,1H3,(H,21,23)/t16-/m0/s1

InChI Key

RXBFNJOIGJBWKP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06014043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.77

Polar Surface Area

61.906

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0983?
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What is the minimum amount of 8017-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0983
  • 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 8017-0983 available by request