C260-2277 Screening compound: 2-(3-{4-[(cyclopentylcarbamoyl)methyl]phenyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C260-2277 Screening compound: 2-(3-{4-[(cyclopentylcarbamoyl)methyl]phenyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
C260-2277 Screening compound: 2-(3-{4-[(cyclopentylcarbamoyl)methyl]phenyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2277
2-(3-{4-[(cyclopentylcarbamoyl)methyl]phenyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]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

C260-2277

Molecular Formula

C33H36N4O6 (C33 H36 N4 O6)

Compound Name

2-(3-{4-[(cyclopentylcarbamoyl)methyl]phenyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-(3-{4-[(cyclopentylcarbamoyl)methyl]phenyl}-24-dioxo-1234-tetrahydroquinazolin-1-yl)-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(CN(c(cccc1)c1C(N1c2ccc(CC(NC3CCCC3)=O)cc2)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C33H36N4O6/c1-42-28-16-13-23(19-29(28)43-2)17-18-34-31(39)21-36-27-10-6-5-9-26(27)32(40)37(33(36)41)25-14-11-22(12-15-25)20-30(38)35-24-7-3-4-8-24/h5-6,9-16,19,24H,3-4,7-8,17-18,20-21H2,1-2H3,(H,34,39)(H,35,38)

InChI Key

LEXWJUCHXCBISC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.98

Polar Surface Area

94.520

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C260-2277 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 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 C260-2277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2277?
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What is the minimum amount of C260-2277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2277
  • 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 C260-2277 available by request