D367-0079 Screening compound: 4-methyl-2-(4-methylpiperazin-1-yl)-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

D367-0079 Screening compound: 4-methyl-2-(4-methylpiperazin-1-yl)-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
D367-0079 Screening compound: 4-methyl-2-(4-methylpiperazin-1-yl)-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D367-0079
4-methyl-2-(4-methylpiperazin-1-yl)-7-(thiophen-2-yl)-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

D367-0079

Molecular Formula

C18H22N4OS (C18 H22 N4 OS)

Compound Name

4-methyl-2-(4-methylpiperazin-1-yl)-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

4-methyl-2-(4-methylpiperazin-1-yl)-7-(thiophen-2-yl)-5678-tetrahydroquinazolin-5-one

SMILES

Cc1nc(N2CCN(C)CC2)nc(CC(C2)c3cccs3)c1C2=O

InChI

InChI=1S/C18H22N4OS/c1-12-17-14(10-13(11-15(17)23)16-4-3-9-24-16)20-18(19-12)22-7-5-21(2)6-8-22/h3-4,9,13H,5-8,10-11H2,1-2H3/t13-/m0/s1

InChI Key

LZYWFOCWOKVXTM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD08709212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-3.01

Polar Surface Area

40.659

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D367-0079 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D367-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D367-0079?
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What is the minimum amount of D367-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D367-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D367-0079
  • 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 D367-0079 available by request