C260-2785 Screening compound: N-[(2-chlorophenyl)methyl]-4-{[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

C260-2785 Screening compound: N-[(2-chlorophenyl)methyl]-4-{[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide
C260-2785 Screening compound: N-[(2-chlorophenyl)methyl]-4-{[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2785
N-[(2-chlorophenyl)methyl]-4-{[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}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

C260-2785

Molecular Formula

C32H24ClN5O4 (C32 H24 ClN5 O4)

Compound Name

N-[(2-chlorophenyl)methyl]-4-{[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

IUPAC name

N-[(2-chlorophenyl)methyl]-4-{[24-dioxo-1-({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-1234-tetrahydroquinazolin-3-yl]methyl}benzamide

SMILES

O=C(c1ccc(CN(C(c(cccc2)c2N2CC(N=C3N4C=CC=C3)=CC4=O)=O)C2=O)cc1)NCc(cccc1)c1Cl

InChI

InChI=1S/C32H24ClN5O4/c33-26-9-3-1-7-23(26)18-34-30(40)22-14-12-21(13-15-22)19-38-31(41)25-8-2-4-10-27(25)37(32(38)42)20-24-17-29(39)36-16-6-5-11-28(36)35-24/h1-17H,18-20H2,(H,34,40)

InChI Key

GKAHJILTNNSALH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.41

Polar Surface Area

81.667

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

C260-2785 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-2785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2785?
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What is the minimum amount of C260-2785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2785
  • 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 C260-2785 available by request