A0016168 Screening compound: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide

A0016168 Screening compound: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
A0016168 Screening compound: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016168
3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-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

A0016168

Molecular Formula

C29H35N3O5S (C29 H35 N3 O5 S)

Compound Name

3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-cyclohexyl-N-(34-dimethoxyphenyl)-2-[(33-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)(C)C(CSC(N1C2CCCCC2)=Nc(cc(cc2)C(Nc(cc3)cc(OC)c3OC)=O)c2C1=O)=O

InChI

InChI=1S/C29H35N3O5S/c1-29(2,3)25(33)17-38-28-31-22-15-18(26(34)30-19-12-14-23(36-4)24(16-19)37-5)11-13-21(22)27(35)32(28)20-9-7-6-8-10-20/h11-16,20H,6-10,17H2,1-5H3,(H,30,34)

InChI Key

OQJVTESVMNJWON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.051

Distribution Coefficient, logD

5.048

Water Solubility, LogSw

-4.68

Polar Surface Area

76.863

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

A0016168 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0016168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016168?
Check Price and Availability of A0016168, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0016168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016168
  • 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 A0016168 available by request