F172-0538 Screening compound: (2E)-N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylprop-2-enamide

F172-0538 Screening compound: (2E)-N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylprop-2-enamide
F172-0538 Screening compound: (2E)-N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F172-0538
(2E)-N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylprop-2-enamide

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

F172-0538

Molecular Formula

C23H18ClN3O4 (C23 H18 ClN3 O4)

Compound Name

(2E)-N-[4-chloro-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[4-chloro-2-({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylprop-2-enamide

SMILES

CC(ON12)=CC2=NC(COc(cc(cc2)Cl)c2NC(/C=C/c2ccccc2)=O)=CC1=O

InChI

InChI=1S/C23H18ClN3O4/c1-15-11-21-25-18(13-23(29)27(21)31-15)14-30-20-12-17(24)8-9-19(20)26-22(28)10-7-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,26,28)

InChI Key

PPWUHURXLKJJDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.55

Polar Surface Area

68.196

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F172-0538 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with F172-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F172-0538?
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What is the minimum amount of F172-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F172-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F172-0538
  • 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 F172-0538 available by request