C260-0990 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

C260-0990 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide
C260-0990 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0990
N-[2-(4-chlorophenyl)ethyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]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

C260-0990

Molecular Formula

C33H26ClF3N4O4 (C33 H26 ClF3 N4 O4)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-{[24-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1234-tetrahydroquinazolin-3-yl]methyl}benzamide

SMILES

O=C(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCCc(cc2)ccc2Cl)=O)=O)C1=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C33H26ClF3N4O4/c34-25-14-10-21(11-15-25)16-17-38-30(43)23-12-8-22(9-13-23)19-41-31(44)27-6-1-2-7-28(27)40(32(41)45)20-29(42)39-26-5-3-4-24(18-26)33(35,36)37/h1-15,18H,16-17,19-20H2,(H,38,43)(H,39,42)

InChI Key

QKIBSTHDBPNOQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.788

Distribution Coefficient, logD

5.788

Water Solubility, LogSw

-6.07

Polar Surface Area

78.671

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

C260-0990 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C260-0990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0990?
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What is the minimum amount of C260-0990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0990
  • 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 C260-0990 available by request