7682-0231 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide

7682-0231 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
7682-0231 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0231
2-[(4,6-dimethylpyrimidin-2-yl)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

7682-0231

Molecular Formula

C16H17N5O2S (C16 H17 N5 O2 S)

Compound Name

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide

IUPAC name

2-[(46-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5678-tetrahydroquinazolin-2-yl)acetamide

SMILES

Cc1nc(SCC(Nc(nc2)nc(CCC3)c2C3=O)=O)nc(C)c1

InChI

InChI=1S/C16H17N5O2S/c1-9-6-10(2)19-16(18-9)24-8-14(23)21-15-17-7-11-12(20-15)4-3-5-13(11)22/h6-7H,3-5,8H2,1-2H3,(H,17,20,21,23)

InChI Key

JGPBBLJMFUULGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04196168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.622

Distribution Coefficient, logD

1.521

Water Solubility, LogSw

-2.48

Polar Surface Area

74.919

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

7682-0231 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Structure:
  • Pool
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7682-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0231?
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What is the minimum amount of 7682-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0231
  • 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 7682-0231 available by request