C260-1154 Screening compound: methyl 2-(2-{3-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

C260-1154 Screening compound: methyl 2-(2-{3-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate
C260-1154 Screening compound: methyl 2-(2-{3-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1154
methyl 2-(2-{3-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)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

C260-1154

Molecular Formula

C34H28N4O8 (C34 H28 N4 O8)

Compound Name

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

IUPAC name

methyl 2-(2-{3-[(4-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O)=O

InChI

InChI=1S/C34H28N4O8/c1-44-33(42)24-6-2-4-8-26(24)36-30(39)19-37-27-9-5-3-7-25(27)32(41)38(34(37)43)18-21-10-13-23(14-11-21)31(40)35-17-22-12-15-28-29(16-22)46-20-45-28/h2-16H,17-20H2,1H3,(H,35,40)(H,36,39)

InChI Key

IXIGWDAVLQDNGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

620.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-4.05

Polar Surface Area

116.421

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.70

C260-1154 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 C260-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1154?
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What is the minimum amount of C260-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1154
  • 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 C260-1154 available by request