C260-2004 Screening compound: ethyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

C260-2004 Screening compound: ethyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate
C260-2004 Screening compound: ethyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2004
ethyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

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

C260-2004

Molecular Formula

C27H23N3O7 (C27 H23 N3 O7)

Compound Name

ethyl 2-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{3-[(2H-13-benzodioxol-5-yl)methyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cccc1)c1C(N1Cc(cc2)cc3c2OCO3)=O)C1=O)=O)=O

InChI

InChI=1S/C27H23N3O7/c1-2-35-26(33)18-7-3-5-9-20(18)28-24(31)15-29-21-10-6-4-8-19(21)25(32)30(27(29)34)14-17-11-12-22-23(13-17)37-16-36-22/h3-13H,2,14-16H2,1H3,(H,28,31)

InChI Key

QOVSCNRXLRELDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-3.96

Polar Surface Area

91.588

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C260-2004 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 C260-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2004?
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What is the minimum amount of C260-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2004
  • 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 C260-2004 available by request