N013-0010 Screening compound: 3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

N013-0010 Screening compound: 3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
N013-0010 Screening compound: 3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N013-0010
3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)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

N013-0010

Molecular Formula

C10H9NO3S (C10 H9 NO3 S)

Compound Name

3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

IUPAC name

3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanoic acid

SMILES

OC(CCN(c(cccc1)c1O1)C1=S)=O

InChI

InChI=1S/C10H9NO3S/c12-9(13)5-6-11-7-3-1-2-4-8(7)14-10(11)15/h1-4H,5-6H2,(H,12,13)

InChI Key

QUSAZJGKDUUSPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.110

Distribution Coefficient, logD

-1.397

Water Solubility, LogSw

-1.98

Polar Surface Area

38.509

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

N013-0010 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with N013-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N013-0010?
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What is the minimum amount of N013-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N013-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N013-0010
  • 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 N013-0010 available by request