C260-2945 Screening compound: 4-[(1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

C260-2945 Screening compound: 4-[(1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
C260-2945 Screening compound: 4-[(1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2945
4-[(1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

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

C260-2945

Molecular Formula

C32H27FN4O4 (C32 H27 FN4 O4)

Compound Name

4-[(1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

IUPAC name

4-[(1-{[(4-fluorophenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

SMILES

Cc1ccc(CNC(c2ccc(CN(C(c(cccc3)c3N3CC(Nc(cc4)ccc4F)=O)=O)C3=O)cc2)=O)cc1

InChI

InChI=1S/C32H27FN4O4/c1-21-6-8-22(9-7-21)18-34-30(39)24-12-10-23(11-13-24)19-37-31(40)27-4-2-3-5-28(27)36(32(37)41)20-29(38)35-26-16-14-25(33)15-17-26/h2-17H,18-20H2,1H3,(H,34,39)(H,35,38)

InChI Key

ZGIIVNMGBPKOHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.40

Polar Surface Area

78.830

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C260-2945 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C260-2945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2945?
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What is the minimum amount of C260-2945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2945
  • 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 C260-2945 available by request