C260-2444 Screening compound: N-cyclopentyl-4-{[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide

C260-2444 Screening compound: N-cyclopentyl-4-{[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide
C260-2444 Screening compound: N-cyclopentyl-4-{[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2444
N-cyclopentyl-4-{[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide

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

C260-2444

Molecular Formula

C33H42N4O6 (C33 H42 N4 O6)

Compound Name

N-cyclopentyl-4-{[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide

IUPAC name

N-cyclopentyl-4-{[1-({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)-24-dioxo-1234-tetrahydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide

SMILES

COc(ccc(CCNC(CN(c(cccc1)c1C(N1CC(CC2)CCC2C(NC2CCCC2)=O)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C33H42N4O6/c1-42-28-16-13-22(19-29(28)43-2)17-18-34-30(38)21-36-27-10-6-5-9-26(27)32(40)37(33(36)41)20-23-11-14-24(15-12-23)31(39)35-25-7-3-4-8-25/h5-6,9-10,13,16,19,23-25H,3-4,7-8,11-12,14-15,17-18,20-21H2,1-2H3,(H,34,38)(H,35,39)

InChI Key

DVRIWCHRZHIFPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.72

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

3.338

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.87

Polar Surface Area

95.537

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.50

C260-2444 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-2444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2444?
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What is the minimum amount of C260-2444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2444
  • 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 C260-2444 available by request