C260-0991 Screening compound: 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(4-chlorophenyl)ethyl]benzamide

C260-0991 Screening compound: 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
C260-0991 Screening compound: 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(4-chlorophenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0991
4-({1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(4-chlorophenyl)ethyl]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

C260-0991

Molecular Formula

C32H25BrClN3O4 (C32 H25 BrClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCCc(cc2)ccc2Cl)=O)=O)C1=O)c(cc1)ccc1Br

InChI

InChI=1S/C32H25BrClN3O4/c33-25-13-11-23(12-14-25)29(38)20-36-28-4-2-1-3-27(28)31(40)37(32(36)41)19-22-5-9-24(10-6-22)30(39)35-18-17-21-7-15-26(34)16-8-21/h1-16H,17-20H2,(H,35,39)

InChI Key

DFCLSIZIWPLSOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

630.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.523

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.96

Polar Surface Area

68.769

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C260-0991 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 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 C260-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0991?
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What is the minimum amount of C260-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0991
  • 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 C260-0991 available by request