8015-4173 Screening compound: 3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(4-methoxyphenyl)propanoic acid

8015-4173 Screening compound: 3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(4-methoxyphenyl)propanoic acid
8015-4173 Screening compound: 3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(4-methoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4173
3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(4-methoxyphenyl)propanoic 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

8015-4173

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]-3-(4-methoxyphenyl)propanoic acid

IUPAC name

3-[2-(13-benzoxazol-2-ylsulfanyl)acetamido]-3-(4-methoxyphenyl)propanoic acid

SMILES

COc1ccc(C(CC(O)=O)NC(CSc2nc(cccc3)c3o2)=O)cc1

InChI

InChI=1S/C19H18N2O5S/c1-25-13-8-6-12(7-9-13)15(10-18(23)24)20-17(22)11-27-19-21-14-4-2-3-5-16(14)26-19/h2-9,15H,10-11H2,1H3,(H,20,22)(H,23,24)/t15-/m0/s1

InChI Key

HYGCSHWVGQTQNO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04061375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

0.260

Water Solubility, LogSw

-3.31

Polar Surface Area

76.660

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

8015-4173 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8015-4173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4173?
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What is the minimum amount of 8015-4173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4173
  • 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 8015-4173 available by request