A0015965 Screening compound: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

A0015965 Screening compound: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
A0015965 Screening compound: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015965
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

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

A0015965

Molecular Formula

C28H33N3O3S (C28 H33 N3 O3 S)

Compound Name

2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(33-dimethyl-2-oxobutyl)sulfanyl]-3-(2-phenylethyl)-7-(piperidine-1-carbonyl)-34-dihydroquinazolin-4-one

SMILES

CC(C)(C)C(CSC(N1CCc2ccccc2)=Nc(cc(cc2)C(N3CCCCC3)=O)c2C1=O)=O

InChI

InChI=1S/C28H33N3O3S/c1-28(2,3)24(32)19-35-27-29-23-18-21(25(33)30-15-8-5-9-16-30)12-13-22(23)26(34)31(27)17-14-20-10-6-4-7-11-20/h4,6-7,10-13,18H,5,8-9,14-17,19H2,1-3H3

InChI Key

YOXMFCXMINXIEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.542

Distribution Coefficient, logD

4.542

Water Solubility, LogSw

-4.29

Polar Surface Area

55.916

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with A0015965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015965?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015965
  • 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 A0015965 available by request