3091-4658 Screening compound: 4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide

3091-4658 Screening compound: 4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide
3091-4658 Screening compound: 4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3091-4658
4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-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

3091-4658

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide

IUPAC name

4-tert-butyl-N-[2-(35-dimethoxyphenyl)-4-oxo-34-dihydroquinazolin-3-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NN(C(c1cc(OC)cc(OC)c1)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C27H27N3O4/c1-27(2,3)19-12-10-17(11-13-19)25(31)29-30-24(18-14-20(33-4)16-21(15-18)34-5)28-23-9-7-6-8-22(23)26(30)32/h6-16H,1-5H3,(H,29,31)

InChI Key

BLBPBUQIVJFQKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

4.512

Water Solubility, LogSw

-4.33

Polar Surface Area

66.839

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3091-4658 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3091-4658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3091-4658?
Check Price and Availability of 3091-4658, 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 3091-4658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3091-4658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3091-4658
  • 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 3091-4658 available by request