C260-2001 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-ethylphenyl)acetamide

C260-2001 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-ethylphenyl)acetamide
C260-2001 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2001
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-ethylphenyl)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

C260-2001

Molecular Formula

C26H23N3O5 (C26 H23 N3 O5)

Compound Name

2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-ethylphenyl)acetamide

IUPAC name

2-{3-[(2H-13-benzodioxol-5-yl)methyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}-N-(3-ethylphenyl)acetamide

SMILES

CCc1cccc(NC(CN(c(cccc2)c2C(N2Cc(cc3)cc4c3OCO4)=O)C2=O)=O)c1

InChI

InChI=1S/C26H23N3O5/c1-2-17-6-5-7-19(12-17)27-24(30)15-28-21-9-4-3-8-20(21)25(31)29(26(28)32)14-18-10-11-22-23(13-18)34-16-33-22/h3-13H,2,14-16H2,1H3,(H,27,30)

InChI Key

QMYGNRQBAMONBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.32

Polar Surface Area

71.532

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C260-2001 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2001?
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What is the minimum amount of C260-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2001
  • 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 C260-2001 available by request