3091-4647 Screening compound: 4-bromo-N-[2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide

3091-4647 Screening compound: 4-bromo-N-[2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide
3091-4647 Screening compound: 4-bromo-N-[2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3091-4647
4-bromo-N-[2-(4-tert-butylphenyl)-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

3091-4647

Molecular Formula

C25H22BrN3O2 (C25 H22 BrN3 O2)

Compound Name

4-bromo-N-[2-(4-tert-butylphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide

IUPAC name

4-bromo-N-[2-(4-tert-butylphenyl)-4-oxo-34-dihydroquinazolin-3-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(N1NC(c(cc2)ccc2Br)=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C25H22BrN3O2/c1-25(2,3)18-12-8-16(9-13-18)22-27-21-7-5-4-6-20(21)24(31)29(22)28-23(30)17-10-14-19(26)15-11-17/h4-15H,1-3H3,(H,28,30)

InChI Key

JJZHNGKRTZLWQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.230

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-5.08

Polar Surface Area

51.751

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 3091-4647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3091-4647?
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What is the minimum amount of 3091-4647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3091-4647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3091-4647
  • 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 3091-4647 available by request