A0015977 Screening compound: N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide

A0015977 Screening compound: N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide
A0015977 Screening compound: N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015977
N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide

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

A0015977

Molecular Formula

C29H35N3O3S (C29 H35 N3 O3 S)

Compound Name

N-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide

IUPAC name

N-cyclohexyl-2-[(33-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)(C)C(CSC(N1CCc2ccccc2)=Nc(cc(cc2)C(NC3CCCCC3)=O)c2C1=O)=O

InChI

InChI=1S/C29H35N3O3S/c1-29(2,3)25(33)19-36-28-31-24-18-21(26(34)30-22-12-8-5-9-13-22)14-15-23(24)27(35)32(28)17-16-20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,22H,5,8-9,12-13,16-17,19H2,1-3H3,(H,30,34)

InChI Key

ZSBZMLFJRCCZAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.25

Polar Surface Area

63.407

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.83

References: we are preparing a list of scientific research reports with A0015977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015977?
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What is the minimum amount of A0015977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015977
  • 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 A0015977 available by request