8451-07224 Screening compound: 2-[(diethylcarbamothioyl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide

8451-07224 Screening compound: 2-[(diethylcarbamothioyl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
8451-07224 Screening compound: 2-[(diethylcarbamothioyl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-07224
2-[(diethylcarbamothioyl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide

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

8451-07224

Molecular Formula

C15H20N4O2S2 (C15 H20 N4 O2 S2)

Compound Name

2-[(diethylcarbamothioyl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide

IUPAC name

2-[(diethylcarbamothioyl)sulfanyl]-N-(5-oxo-5678-tetrahydroquinazolin-2-yl)acetamide

SMILES

CCN(CC)C(SCC(Nc(nc1)nc(CCC2)c1C2=O)=O)=S

InChI

InChI=1S/C15H20N4O2S2/c1-3-19(4-2)15(22)23-9-13(21)18-14-16-8-10-11(17-14)6-5-7-12(10)20/h8H,3-7,9H2,1-2H3,(H,16,17,18,21)

InChI Key

FLOGFNYUNFYUKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04184420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.174

Distribution Coefficient, logD

2.075

Water Solubility, LogSw

-2.86

Polar Surface Area

60.388

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

8451-07224 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8451-07224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-07224?
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What is the minimum amount of 8451-07224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-07224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-07224
  • 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 8451-07224 available by request