C260-1122 Screening compound: ethyl 2-{2-[3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate

C260-1122 Screening compound: ethyl 2-{2-[3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate
C260-1122 Screening compound: ethyl 2-{2-[3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1122
ethyl 2-{2-[3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-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

C260-1122

Molecular Formula

C31H30N4O8 (C31 H30 N4 O8)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(CN(c(cccc1)c1C(N1CCCC(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O)=O

InChI

InChI=1S/C31H30N4O8/c1-2-41-30(39)21-8-3-5-10-23(21)33-28(37)18-35-24-11-6-4-9-22(24)29(38)34(31(35)40)15-7-12-27(36)32-17-20-13-14-25-26(16-20)43-19-42-25/h3-6,8-11,13-14,16H,2,7,12,15,17-19H2,1H3,(H,32,36)(H,33,37)

InChI Key

FUSJKLQAJZCQLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.43

Polar Surface Area

116.037

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

C260-1122 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1122?
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What is the minimum amount of C260-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1122
  • 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 C260-1122 available by request