A0016254 Screening compound: N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

A0016254 Screening compound: N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
A0016254 Screening compound: N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016254
N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)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

A0016254

Molecular Formula

C23H23ClN4O2S (C23 H23 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCN1C(SCC#N)=Nc(cc(cc2)C(NCc3cccc(Cl)c3)=O)c2C1=O

InChI

InChI=1S/C23H23ClN4O2S/c1-2-3-4-11-28-22(30)19-9-8-17(14-20(19)27-23(28)31-12-10-25)21(29)26-15-16-6-5-7-18(24)13-16/h5-9,13-14H,2-4,11-12,15H2,1H3,(H,26,29)

InChI Key

GMLIUMWXJAKSOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.578

Distribution Coefficient, logD

4.578

Water Solubility, LogSw

-4.59

Polar Surface Area

68.198

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with A0016254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016254?
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What is the minimum amount of A0016254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016254
  • 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 A0016254 available by request