A0016257 Screening compound: 2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

A0016257 Screening compound: 2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
A0016257 Screening compound: 2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016257
2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-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

A0016257

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCN1C(SCC#N)=Nc(cc(cc2)C(NC3CCCCC3)=O)c2C1=O

InChI

InChI=1S/C22H28N4O2S/c1-2-3-7-13-26-21(28)18-11-10-16(15-19(18)25-22(26)29-14-12-23)20(27)24-17-8-5-4-6-9-17/h10-11,15,17H,2-9,13-14H2,1H3,(H,24,27)

InChI Key

ICLGOKZNSDEUMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.24

Polar Surface Area

67.923

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

A0016257 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0016257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016257?
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What is the minimum amount of A0016257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016257
  • 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 A0016257 available by request