8442-0477 Screening compound: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one

8442-0477 Screening compound: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one
8442-0477 Screening compound: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8442-0477
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-4-methyl-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

8442-0477

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N2CCN(CCO)CC2)nc(CC(C2)c(cccc3)c3O)c1C2=O

InChI

InChI=1S/C21H26N4O3/c1-14-20-17(12-15(13-19(20)28)16-4-2-3-5-18(16)27)23-21(22-14)25-8-6-24(7-9-25)10-11-26/h2-5,15,26-27H,6-13H2,1H3/t15-/m1/s1

InChI Key

IOSXGMHIHOKXNM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07469559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-2.36

Polar Surface Area

73.158

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

8442-0477 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8442-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8442-0477?
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What is the minimum amount of 8442-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8442-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8442-0477
  • 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 8442-0477 available by request