3429-0005 Screening compound: methyl 2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-3,4-dihydroquinazolin-3-yl]acetate

3429-0005 Screening compound: methyl 2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-3,4-dihydroquinazolin-3-yl]acetate
3429-0005 Screening compound: methyl 2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-3,4-dihydroquinazolin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3429-0005
methyl 2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-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

3429-0005

Molecular Formula

C23H18Cl2N2O2 (C23 H18 Cl2 N2 O2)

Compound Name

methyl 2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-3,4-dihydroquinazolin-3-yl]acetate

IUPAC name

methyl 2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-34-dihydroquinazolin-3-yl]acetate

SMILES

COC(CN(C1c2ccccc2)C(c(cc2)ccc2Cl)=Nc(cc2)c1cc2Cl)=O

InChI

InChI=1S/C23H18Cl2N2O2/c1-29-21(28)14-27-22(15-5-3-2-4-6-15)19-13-18(25)11-12-20(19)26-23(27)16-7-9-17(24)10-8-16/h2-13,22H,14H2,1H3/t22-/m0/s1

InChI Key

PPFSIISDLIQSBY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02240676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.997

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-6.21

Polar Surface Area

32.726

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

10.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

3429-0005 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3429-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3429-0005?
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What is the minimum amount of 3429-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3429-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3429-0005
  • 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 3429-0005 available by request