C260-2704 Screening compound: 4-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

C260-2704 Screening compound: 4-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
C260-2704 Screening compound: 4-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2704
4-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

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

C260-2704

Molecular Formula

C29H30N4O4 (C29 H30 N4 O4)

Compound Name

4-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

IUPAC name

4-(1-{[(4-methylphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

SMILES

Cc1ccc(CNC(CCCN(C(c(cccc2)c2N2CC(Nc3ccc(C)cc3)=O)=O)C2=O)=O)cc1

InChI

InChI=1S/C29H30N4O4/c1-20-9-13-22(14-10-20)18-30-26(34)8-5-17-32-28(36)24-6-3-4-7-25(24)33(29(32)37)19-27(35)31-23-15-11-21(2)12-16-23/h3-4,6-7,9-16H,5,8,17-19H2,1-2H3,(H,30,34)(H,31,35)

InChI Key

MHQHTWBLMZZQDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.511

Distribution Coefficient, logD

3.511

Water Solubility, LogSw

-3.75

Polar Surface Area

78.866

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C260-2704 in Drug Discovery

Included in Screening Libraries

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 C260-2704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2704?
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What is the minimum amount of C260-2704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2704
  • 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 C260-2704 available by request