3009-4066 Screening compound: 4-tert-butyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide

3009-4066 Screening compound: 4-tert-butyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide
3009-4066 Screening compound: 4-tert-butyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4066
4-tert-butyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide

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

3009-4066

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

4-tert-butyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide

IUPAC name

4-tert-butyl-N-(2-methyl-4-oxo-34-dihydroquinazolin-3-yl)benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NN(C(C)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C20H21N3O2/c1-13-21-17-8-6-5-7-16(17)19(25)23(13)22-18(24)14-9-11-15(12-10-14)20(2,3)4/h5-12H,1-4H3,(H,22,24)

InChI Key

DIYAERVSLGKFDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.62

Polar Surface Area

50.787

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3009-4066 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3009-4066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4066?
Check Price and Availability of 3009-4066, 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 3009-4066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4066
  • 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 3009-4066 available by request