3332-1137 Screening compound: ethyl 2-[6-bromo-2-(4-fluorophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate

3332-1137 Screening compound: ethyl 2-[6-bromo-2-(4-fluorophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate
3332-1137 Screening compound: ethyl 2-[6-bromo-2-(4-fluorophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3332-1137
ethyl 2-[6-bromo-2-(4-fluorophenyl)-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

3332-1137

Molecular Formula

C24H22BrFN2O2 (C24 H22 BrFN2 O2)

Compound Name

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

IUPAC name

ethyl 2-[6-bromo-2-(4-fluorophenyl)-4-phenyl-1234-tetrahydroquinazolin-3-yl]acetate

SMILES

CCOC(CN(C1c2ccccc2)C(c(cc2)ccc2F)Nc(cc2)c1cc2Br)=O

InChI

InChI=1S/C24H22BrFN2O2/c1-2-30-22(29)15-28-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)27-24(28)17-8-11-19(26)12-9-17/h3-14,23-24,27H,2,15H2,1H3

InChI Key

FPQZZXHRAVDBNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02993486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.232

Distribution Coefficient, logD

6.231

Water Solubility, LogSw

-5.47

Polar Surface Area

34.299

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

3332-1137 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Annotated Library (688 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3332-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3332-1137?
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What is the minimum amount of 3332-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3332-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3332-1137
  • 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 3332-1137 available by request