C989-0480 Screening compound: N,N-bis(2-methylpropyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

C989-0480 Screening compound: N,N-bis(2-methylpropyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide
C989-0480 Screening compound: N,N-bis(2-methylpropyl)-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 C989-0480
N,N-bis(2-methylpropyl)-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

C989-0480

Molecular Formula

C21H31N3O5S (C21 H31 N3 O5 S)

Compound Name

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

IUPAC name

NN-bis(2-methylpropyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-3-yl]acetamide

SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-15(2)12-22(13-16(3)4)20(25)14-24-18-8-7-17(11-19(18)29-21(24)26)30(27,28)23-9-5-6-10-23/h7-8,11,15-16H,5-6,9-10,12-14H2,1-4H3

InChI Key

OEGIXRONOYRCKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

3.137

Water Solubility, LogSw

-3.65

Polar Surface Area

71.371

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C989-0480 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 C989-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0480?
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What is the minimum amount of C989-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0480
  • 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 C989-0480 available by request