C989-0485 Screening compound: N-(2-methoxyethyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

C989-0485 Screening compound: N-(2-methoxyethyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide
C989-0485 Screening compound: N-(2-methoxyethyl)-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 C989-0485
N-(2-methoxyethyl)-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

C989-0485

Molecular Formula

C16H21N3O6S (C16 H21 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H21N3O6S/c1-24-9-6-17-15(20)11-19-13-5-4-12(10-14(13)25-16(19)21)26(22,23)18-7-2-3-8-18/h4-5,10H,2-3,6-9,11H2,1H3,(H,17,20)

InChI Key

MLOXTZNORFPFCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08847753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.411

Distribution Coefficient, logD

0.411

Water Solubility, LogSw

-2.49

Polar Surface Area

88.071

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C989-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0485?
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What is the minimum amount of C989-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0485
  • 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 C989-0485 available by request