C989-0417 Screening compound: N-cycloheptyl-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

C989-0417 Screening compound: N-cycloheptyl-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide
C989-0417 Screening compound: N-cycloheptyl-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0417
N-cycloheptyl-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]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

C989-0417

Molecular Formula

C20H27N3O5S (C20 H27 N3 O5 S)

Compound Name

N-cycloheptyl-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

IUPAC name

N-cycloheptyl-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-3-yl]acetamide

SMILES

O=C(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)NC1CCCCCC1

InChI

InChI=1S/C20H27N3O5S/c24-19(21-15-7-3-1-2-4-8-15)14-23-17-10-9-16(13-18(17)28-20(23)25)29(26,27)22-11-5-6-12-22/h9-10,13,15H,1-8,11-12,14H2,(H,21,24)

InChI Key

BWBPRXZPJRJRQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

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

2.795

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.55

Polar Surface Area

79.672

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C989-0417 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 C989-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0417?
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What is the minimum amount of C989-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0417
  • 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 C989-0417 available by request