A0016427 Screening compound: N-(3-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

A0016427 Screening compound: N-(3-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
A0016427 Screening compound: N-(3-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016427
N-(3-chlorophenyl)-2-{[(3-chlorophenyl)methyl]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

A0016427

Molecular Formula

C27H25Cl2N3O2S (C27 H25 Cl2 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCN1C(SCc2cc(Cl)ccc2)=Nc(cc(cc2)C(Nc3cccc(Cl)c3)=O)c2C1=O

InChI

InChI=1S/C27H25Cl2N3O2S/c1-2-3-4-13-32-26(34)23-12-11-19(25(33)30-22-10-6-9-21(29)16-22)15-24(23)31-27(32)35-17-18-7-5-8-20(28)14-18/h5-12,14-16H,2-4,13,17H2,1H3,(H,30,33)

InChI Key

INVHABCXQHETTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.638

Distribution Coefficient, logD

7.628

Water Solubility, LogSw

-6.26

Polar Surface Area

49.112

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with A0016427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016427?
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What is the minimum amount of A0016427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016427
  • 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 A0016427 available by request