C260-1002 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide

C260-1002 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide
C260-1002 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1002
N-[2-(4-chlorophenyl)ethyl]-4-({1-[(4-chlorophenyl)methyl]-2,4-dioxo-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

C260-1002

Molecular Formula

C31H25Cl2N3O3 (C31 H25 Cl2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CN(C(c(cccc2)c2N2Cc(cc3)ccc3Cl)=O)C2=O)cc1)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C31H25Cl2N3O3/c32-25-13-7-21(8-14-25)17-18-34-29(37)24-11-5-22(6-12-24)20-36-30(38)27-3-1-2-4-28(27)35(31(36)39)19-23-9-15-26(33)16-10-23/h1-16H,17-20H2,(H,34,37)

InChI Key

CSKCZNCUQIEFMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.934

Distribution Coefficient, logD

5.934

Water Solubility, LogSw

-6.15

Polar Surface Area

55.522

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

C260-1002 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 C260-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1002?
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What is the minimum amount of C260-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1002
  • 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 C260-1002 available by request