C989-0316 Screening compound: 6-(azepane-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzoxazol-2-one

C989-0316 Screening compound: 6-(azepane-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzoxazol-2-one
C989-0316 Screening compound: 6-(azepane-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0316
6-(azepane-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzoxazol-2-one

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

C989-0316

Molecular Formula

C19H25N3O5S (C19 H25 N3 O5 S)

Compound Name

6-(azepane-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-(azepane-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-23-dihydro-13-benzoxazol-2-one

SMILES

O=C(CN(c(ccc(S(N1CCCCCC1)(=O)=O)c1)c1O1)C1=O)N1CCCC1

InChI

InChI=1S/C19H25N3O5S/c23-18(20-9-5-6-10-20)14-22-16-8-7-15(13-17(16)27-19(22)24)28(25,26)21-11-3-1-2-4-12-21/h7-8,13H,1-6,9-12,14H2

InChI Key

SHHSDBZRHDQGAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

2.036

Water Solubility, LogSw

-2.86

Polar Surface Area

71.867

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C989-0316 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C989-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0316?
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What is the minimum amount of C989-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0316
  • 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 C989-0316 available by request