3129-4927 Screening compound: 2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-ethylbenzoate

3129-4927 Screening compound: 2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-ethylbenzoate
3129-4927 Screening compound: 2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-ethylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3129-4927
2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-ethylbenzoate

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

3129-4927

Molecular Formula

C27H26N2O3 (C27 H26 N2 O3)

Compound Name

2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-ethylbenzoate

IUPAC name

2-(4-tert-butylphenyl)-4-oxo-34-dihydroquinazolin-3-yl 4-ethylbenzoate

SMILES

CCc(cc1)ccc1C(ON(C(c1ccc(C(C)(C)C)cc1)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C27H26N2O3/c1-5-18-10-12-20(13-11-18)26(31)32-29-24(19-14-16-21(17-15-19)27(2,3)4)28-23-9-7-6-8-22(23)25(29)30/h6-17H,5H2,1-4H3

InChI Key

HEDIFOSREDNVPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.089

Distribution Coefficient, logD

6.085

Water Solubility, LogSw

-5.57

Polar Surface Area

48.251

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3129-4927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3129-4927?
Check Price and Availability of 3129-4927, 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 3129-4927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3129-4927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3129-4927
  • 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 3129-4927 available by request