D058-0074 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methyl-3,4-dihydropyrimidin-4-one

D058-0074 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methyl-3,4-dihydropyrimidin-4-one
D058-0074 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0074
2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methyl-3,4-dihydropyrimidin-4-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

D058-0074

Molecular Formula

C20H18N4OS (C20 H18 N4 OS)

Compound Name

2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-{[(1H-13-benzodiazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(N1)SCc2nc(cccc3)c3[nH]2)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C20H18N4OS/c1-13-15(11-14-7-3-2-4-8-14)19(25)24-20(21-13)26-12-18-22-16-9-5-6-10-17(16)23-18/h2-10H,11-12H2,1H3,(H,22,23)(H,21,24,25)

InChI Key

LNPOWCCJPTWBMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.84

Polar Surface Area

54.163

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D058-0074 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D058-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0074?
Check Price and Availability of D058-0074, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D058-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0074
  • 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 D058-0074 available by request