2404-0085 Screening compound: methyl 2-[6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate

2404-0085 Screening compound: methyl 2-[6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate
2404-0085 Screening compound: methyl 2-[6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2404-0085
methyl 2-[6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-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

2404-0085

Molecular Formula

C23H21BrN2O3 (C23 H21 BrN2 O3)

Compound Name

methyl 2-[6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate

IUPAC name

methyl 2-[6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1234-tetrahydroquinazolin-3-yl]acetate

SMILES

COC(CN(C1c2ccccc2)C(c(cccc2)c2O)Nc(cc2)c1cc2Br)=O

InChI

InChI=1S/C23H21BrN2O3/c1-29-21(28)14-26-22(15-7-3-2-4-8-15)18-13-16(24)11-12-19(18)25-23(26)17-9-5-6-10-20(17)27/h2-13,22-23,25,27H,14H2,1H3

InChI Key

WPFWCSCBLRIAOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.11

Polar Surface Area

51.267

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

2404-0085 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2404-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2404-0085?
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What is the minimum amount of 2404-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2404-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2404-0085
  • 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 2404-0085 available by request