C109-0147 Screening compound: 3-(2,6-difluorophenyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0147 Screening compound: 3-(2,6-difluorophenyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0147 Screening compound: 3-(2,6-difluorophenyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0147
3-(2,6-difluorophenyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

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

C109-0147

Molecular Formula

C22H16F3N3O3 (C22 H16 F3 N3 O3)

Compound Name

3-(2,6-difluorophenyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

3-(26-difluorophenyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

OC(C(NCc(cc1)ccc1F)=O)(c(cccc1)c1N1)N(c(c(F)ccc2)c2F)C1=O

InChI

InChI=1S/C22H16F3N3O3/c23-14-10-8-13(9-11-14)12-26-20(29)22(31)15-4-1-2-7-18(15)27-21(30)28(22)19-16(24)5-3-6-17(19)25/h1-11,31H,12H2,(H,26,29)(H,27,30)/t22-/m1/s1

InChI Key

BAOPTUUBTPHMIU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14720075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.97

Polar Surface Area

66.503

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C109-0147 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C109-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0147?
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What is the minimum amount of C109-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0147
  • 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 C109-0147 available by request