A0016373 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

A0016373 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
A0016373 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016373
N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-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

A0016373

Molecular Formula

C27H32ClN3O3S (C27 H32 ClN3 O3 S)

Compound Name

N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[(33-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCCCN1C(SCC(C(C)(C)C)=O)=Nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2C1=O

InChI

InChI=1S/C27H32ClN3O3S/c1-5-6-9-14-31-25(34)20-13-12-18(24(33)29-16-19-10-7-8-11-21(19)28)15-22(20)30-26(31)35-17-23(32)27(2,3)4/h7-8,10-13,15H,5-6,9,14,16-17H2,1-4H3,(H,29,33)

InChI Key

BMZQMBKSVNNSLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.203

Distribution Coefficient, logD

6.203

Water Solubility, LogSw

-5.87

Polar Surface Area

63.953

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with A0016373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016373?
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What is the minimum amount of A0016373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016373
  • 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 A0016373 available by request