C200-5774 Screening compound: 4-[(1-{[(3-fluorophenyl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide

C200-5774 Screening compound: 4-[(1-{[(3-fluorophenyl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide
C200-5774 Screening compound: 4-[(1-{[(3-fluorophenyl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5774
4-[(1-{[(3-fluorophenyl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide

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

C200-5774

Molecular Formula

C27H25FN4O6 (C27 H25 FN4 O6)

Compound Name

4-[(1-{[(3-fluorophenyl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide

IUPAC name

4-[(1-{[(3-fluorophenyl)carbamoyl]methyl}-67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide

SMILES

CNC(c1ccc(CN(C(c(cc(c(OC)c2)OC)c2N2CC(Nc3cccc(F)c3)=O)=O)C2=O)cc1)=O

InChI

InChI=1S/C27H25FN4O6/c1-29-25(34)17-9-7-16(8-10-17)14-32-26(35)20-12-22(37-2)23(38-3)13-21(20)31(27(32)36)15-24(33)30-19-6-4-5-18(28)11-19/h4-13H,14-15H2,1-3H3,(H,29,34)(H,30,33)

InChI Key

YTSFKDDXZNJMJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.49

Polar Surface Area

94.512

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C200-5774 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 C200-5774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5774?
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What is the minimum amount of C200-5774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5774
  • 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 C200-5774 available by request