C260-0742 Screening compound: 2-[7-chloro-2,4-dioxo-3-(2-thienylmethyl)-3,4-dihydro-1(2H)-quinazolinyl]-N-(2,5-dimethoxyphenyl)acetamide

C260-0742 Screening compound: 2-[7-chloro-2,4-dioxo-3-(2-thienylmethyl)-3,4-dihydro-1(2H)-quinazolinyl]-N-(2,5-dimethoxyphenyl)acetamide
C260-0742 Screening compound: 2-[7-chloro-2,4-dioxo-3-(2-thienylmethyl)-3,4-dihydro-1(2H)-quinazolinyl]-N-(2,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0742
2-[7-chloro-2,4-dioxo-3-(2-thienylmethyl)-3,4-dihydro-1(2H)-quinazolinyl]-N-(2,5-dimethoxyphenyl)acetamide

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

C260-0742

Molecular Formula

C23H20ClN3O5S (C23 H20 ClN3 O5 S)

Compound Name

2-[7-chloro-2,4-dioxo-3-(2-thienylmethyl)-3,4-dihydro-1(2H)-quinazolinyl]-N-(2,5-dimethoxyphenyl)acetamide

IUPAC name

2-{7-chloro-24-dioxo-3-[(thiophen-2-yl)methyl]-1234-tetrahydroquinazolin-1-yl}-N-(25-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(NC(CN(c(cc(cc2)Cl)c2C(N2Cc3cccs3)=O)C2=O)=O)c1OC

InChI

InChI=1S/C23H20ClN3O5S/c1-31-15-6-8-20(32-2)18(11-15)25-21(28)13-26-19-10-14(24)5-7-17(19)22(29)27(23(26)30)12-16-4-3-9-33-16/h3-11H,12-13H2,1-2H3,(H,25,28)

InChI Key

ZMDGXFLIGMBEIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.59

Polar Surface Area

69.911

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.39

C260-0742 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C260-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0742?
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What is the minimum amount of C260-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0742
  • 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 C260-0742 available by request