A0016032 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

A0016032 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
A0016032 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016032
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-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

A0016032

Molecular Formula

C32H32ClN3O2S (C32 H32 ClN3 O2 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-34-dihydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(N=C(N2CCc3ccccc3)SCc3cccc(Cl)c3)c1C2=O)NCCC1=CCCCC1

InChI

InChI=1S/C32H32ClN3O2S/c33-27-13-7-12-25(20-27)22-39-32-35-29-21-26(30(37)34-18-16-23-8-3-1-4-9-23)14-15-28(29)31(38)36(32)19-17-24-10-5-2-6-11-24/h2,5-8,10-15,20-21H,1,3-4,9,16-19,22H2,(H,34,37)

InChI Key

IMAYLFPIIXAQOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.14

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.644

Distribution Coefficient, logD

6.644

Water Solubility, LogSw

-6.32

Polar Surface Area

50.196

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with A0016032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016032?
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What is the minimum amount of A0016032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016032
  • 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 A0016032 available by request