8442-0473 Screening compound: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

8442-0473 Screening compound: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one
8442-0473 Screening compound: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8442-0473
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

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

8442-0473

Molecular Formula

C23H30N4O5 (C23 H30 N4 O5)

Compound Name

2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(345-trimethoxyphenyl)-5678-tetrahydroquinazolin-5-one

SMILES

COc1cc(C(Cc2c3cnc(N4CCN(CCO)CC4)n2)CC3=O)cc(OC)c1OC

InChI

InChI=1S/C23H30N4O5/c1-30-20-12-16(13-21(31-2)22(20)32-3)15-10-18-17(19(29)11-15)14-24-23(25-18)27-6-4-26(5-7-27)8-9-28/h12-15,28H,4-11H2,1-3H3/t15-/m1/s1

InChI Key

QUEMOTAFFLMBBG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07469555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.556

Distribution Coefficient, logD

1.393

Water Solubility, LogSw

-2.00

Polar Surface Area

79.532

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

8442-0473 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8442-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8442-0473?
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What is the minimum amount of 8442-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8442-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8442-0473
  • 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 8442-0473 available by request