C260-0781 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(4-methylphenyl)ethyl]butanamide

C260-0781 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(4-methylphenyl)ethyl]butanamide
C260-0781 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(4-methylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0781
4-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(4-methylphenyl)ethyl]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

C260-0781

Molecular Formula

C28H28ClN3O3 (C28 H28 ClN3 O3)

Compound Name

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

IUPAC name

4-{1-[(2-chlorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}-N-[2-(4-methylphenyl)ethyl]butanamide

SMILES

Cc1ccc(CCNC(CCCN(C(c(cccc2)c2N2Cc(cccc3)c3Cl)=O)C2=O)=O)cc1

InChI

InChI=1S/C28H28ClN3O3/c1-20-12-14-21(15-13-20)16-17-30-26(33)11-6-18-31-27(34)23-8-3-5-10-25(23)32(28(31)35)19-22-7-2-4-9-24(22)29/h2-5,7-10,12-15H,6,11,16-19H2,1H3,(H,30,33)

InChI Key

URIVCERYPSFEEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.23

Polar Surface Area

55.558

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C260-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0781?
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What is the minimum amount of C260-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0781
  • 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 C260-0781 available by request