7182-3738 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

7182-3738 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
7182-3738 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7182-3738
2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

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

7182-3738

Molecular Formula

C19H19N3O5S (C19 H19 N3 O5 S)

Compound Name

2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

IUPAC name

2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)Nc(cc1)ccc1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C19H19N3O5S/c23-18(13-22-16-5-1-2-6-17(16)27-19(22)24)20-14-7-9-15(10-8-14)28(25,26)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,23)

InChI Key

KKDJZBXBEUVRGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06011036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

2.371

Water Solubility, LogSw

-2.98

Polar Surface Area

78.293

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

7182-3738 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7182-3738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7182-3738?
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What is the minimum amount of 7182-3738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7182-3738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7182-3738
  • 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 7182-3738 available by request