6339-0052 Screening compound: ethyl 2-[6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-3-yl]acetate

6339-0052 Screening compound: ethyl 2-[6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-3-yl]acetate
6339-0052 Screening compound: ethyl 2-[6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6339-0052
ethyl 2-[6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-3-yl]acetate

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

6339-0052

Molecular Formula

C27H27BrN2O5 (C27 H27 BrN2 O5)

Compound Name

ethyl 2-[6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-3-yl]acetate

IUPAC name

ethyl 2-[6-bromo-4-phenyl-2-(345-trimethoxyphenyl)-34-dihydroquinazolin-3-yl]acetate

SMILES

CCOC(CN(C1c2ccccc2)C(c(cc2OC)cc(OC)c2OC)=Nc(cc2)c1cc2Br)=O

InChI

InChI=1S/C27H27BrN2O5/c1-5-35-24(31)16-30-25(17-9-7-6-8-10-17)20-15-19(28)11-12-21(20)29-27(30)18-13-22(32-2)26(34-4)23(14-18)33-3/h6-15,25H,5,16H2,1-4H3/t25-/m0/s1

InChI Key

PHUTXUHKXBDLHW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01829368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.697

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-5.44

Polar Surface Area

55.284

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

11.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 6339-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6339-0052?
Check Price and Availability of 6339-0052, 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 6339-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6339-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6339-0052
  • 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 6339-0052 available by request