6339-0059 Screening compound: ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate

6339-0059 Screening compound: ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate
6339-0059 Screening compound: ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6339-0059
ethyl 2-[6-bromo-2-(4-chlorophenyl)-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

6339-0059

Molecular Formula

C24H22BrClN2O2 (C24 H22 BrClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CN(C1c2ccccc2)C(c(cc2)ccc2Cl)Nc(cc2)c1cc2Br)=O

InChI

InChI=1S/C24H22BrClN2O2/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

IXUMUCLOPJMZLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.81

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

6.798

Distribution Coefficient, logD

6.797

Water Solubility, LogSw

-6.44

Polar Surface Area

34.299

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

6339-0059 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6339-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6339-0059?
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What is the minimum amount of 6339-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6339-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6339-0059
  • 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 6339-0059 available by request