A0015768 Screening compound: 3-benzyl-N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide

A0015768 Screening compound: 3-benzyl-N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
A0015768 Screening compound: 3-benzyl-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 A0015768
3-benzyl-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

A0015768

Molecular Formula

C30H31N3O5S (C30 H31 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(CSC(N1Cc2ccccc2)=Nc(cc(cc2)C(Nc(cc3)cc(OC)c3OC)=O)c2C1=O)=O

InChI

InChI=1S/C30H31N3O5S/c1-30(2,3)26(34)18-39-29-32-23-15-20(27(35)31-21-12-14-24(37-4)25(16-21)38-5)11-13-22(23)28(36)33(29)17-19-9-7-6-8-10-19/h6-16H,17-18H2,1-5H3,(H,31,35)

InChI Key

XFISNBPVDDBZBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.62

Polar Surface Area

77.642

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

A0015768 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0015768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015768?
Check Price and Availability of A0015768, 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 A0015768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015768
  • 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 A0015768 available by request