C260-0822 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

C260-0822 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide
C260-0822 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0822
N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

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

C260-0822

Molecular Formula

C26H23Cl2N3O3 (C26 H23 Cl2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(C(c(cccc1)c1N1Cc(cccc2)c2Cl)=O)C1=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C26H23Cl2N3O3/c27-20-11-9-18(10-12-20)13-15-29-24(32)14-16-30-25(33)21-6-2-4-8-23(21)31(26(30)34)17-19-5-1-3-7-22(19)28/h1-12H,13-17H2,(H,29,32)

InChI Key

MPSFDAPZJXJAPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.39

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

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.61

Polar Surface Area

55.558

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C260-0822 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0822?
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What is the minimum amount of C260-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0822
  • 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 C260-0822 available by request