C989-0543 Screening compound: 3-[2-(morpholin-4-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

C989-0543 Screening compound: 3-[2-(morpholin-4-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
C989-0543 Screening compound: 3-[2-(morpholin-4-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0543
3-[2-(morpholin-4-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-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

C989-0543

Molecular Formula

C17H21N3O6S (C17 H21 N3 O6 S)

Compound Name

3-[2-(morpholin-4-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-[2-(morpholin-4-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

O=C(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)N1CCOCC1

InChI

InChI=1S/C17H21N3O6S/c21-16(18-7-9-25-10-8-18)12-20-14-4-3-13(11-15(14)26-17(20)22)27(23,24)19-5-1-2-6-19/h3-4,11H,1-2,5-10,12H2

InChI Key

WWOHDXZHYAHDGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08847795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.269

Distribution Coefficient, logD

0.269

Water Solubility, LogSw

-2.28

Polar Surface Area

79.445

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

C989-0543 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C989-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0543?
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What is the minimum amount of C989-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0543
  • 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 C989-0543 available by request