F172-0823 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide

F172-0823 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide
F172-0823 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F172-0823
2-[(4-chlorophenyl)sulfanyl]-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]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

F172-0823

Molecular Formula

C24H22ClN3O6S2 (C24 H22 ClN3 O6 S2)

Compound Name

2-[(4-chlorophenyl)sulfanyl]-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide

IUPAC name

2-[(4-chlorophenyl)sulfanyl]-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methoxy)phenyl]acetamide

SMILES

CCS(c(cc1)cc(NC(CSc(cc2)ccc2Cl)=O)c1OCC(N=C1N2OC(C)=C1)=CC2=O)(=O)=O

InChI

InChI=1S/C24H22ClN3O6S2/c1-3-36(31,32)19-8-9-21(33-13-17-11-24(30)28-22(26-17)10-15(2)34-28)20(12-19)27-23(29)14-35-18-6-4-16(25)5-7-18/h4-12H,3,13-14H2,1-2H3,(H,27,29)

InChI Key

SGTLCAIWDBDLCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.04

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.492

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-3.37

Polar Surface Area

97.232

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F172-0823 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F172-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F172-0823?
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What is the minimum amount of F172-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F172-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F172-0823
  • 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 F172-0823 available by request