8341-0097 Screening compound: 2-[(4-ethylphenyl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

8341-0097 Screening compound: 2-[(4-ethylphenyl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
8341-0097 Screening compound: 2-[(4-ethylphenyl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8341-0097
2-[(4-ethylphenyl)amino]-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

8341-0097

Molecular Formula

C20H19N3OS (C20 H19 N3 OS)

Compound Name

2-[(4-ethylphenyl)amino]-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-[(4-ethylphenyl)amino]-7-(thiophen-2-yl)-5678-tetrahydroquinazolin-5-one

SMILES

CCc(cc1)ccc1Nc(nc1)nc(CC(C2)c3cccs3)c1C2=O

InChI

InChI=1S/C20H19N3OS/c1-2-13-5-7-15(8-6-13)22-20-21-12-16-17(23-20)10-14(11-18(16)24)19-4-3-9-25-19/h3-9,12,14H,2,10-11H2,1H3,(H,21,22,23)/t14-/m0/s1

InChI Key

WVSIXUZOJZPXGE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05695023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.38

Polar Surface Area

44.794

Acid Dissociation Constant (pKa)

16.69

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8341-0097 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 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 8341-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8341-0097?
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What is the minimum amount of 8341-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8341-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8341-0097
  • 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 8341-0097 available by request