3470-5563 Screening compound: 2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-butylbenzoate

3470-5563 Screening compound: 2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-butylbenzoate
3470-5563 Screening compound: 2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3470-5563
2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-butylbenzoate

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

3470-5563

Molecular Formula

C27H26N2O5 (C27 H26 N2 O5)

Compound Name

2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl 4-butylbenzoate

IUPAC name

2-(34-dimethoxyphenyl)-4-oxo-34-dihydroquinazolin-3-yl 4-butylbenzoate

SMILES

CCCCc(cc1)ccc1C(ON(C(c(cc1)cc(OC)c1OC)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C27H26N2O5/c1-4-5-8-18-11-13-19(14-12-18)27(31)34-29-25(20-15-16-23(32-2)24(17-20)33-3)28-22-10-7-6-9-21(22)26(29)30/h6-7,9-17H,4-5,8H2,1-3H3

InChI Key

MITRZZXETYUGEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.928

Water Solubility, LogSw

-4.65

Polar Surface Area

63.512

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3470-5563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3470-5563?
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What is the minimum amount of 3470-5563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3470-5563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3470-5563
  • 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 3470-5563 available by request