D718-0168 Screening compound: 2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a][1,3]benzimidazol-4(1H)-one

D718-0168 Screening compound: 2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a][1,3]benzimidazol-4(1H)-one
D718-0168 Screening compound: 2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a][1,3]benzimidazol-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0168
2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a][1,3]benzimidazol-4(1H)-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

D718-0168

Molecular Formula

C17H12ClN3OS (C17 H12 ClN3 OS)

Compound Name

2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a][1,3]benzimidazol-4(1H)-one

IUPAC name

11-{[(4-chlorophenyl)sulfanyl]methyl}-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaen-13-one

SMILES

O=C(C=C(CSc(cc1)ccc1Cl)N1)n2c1nc1c2cccc1

InChI

InChI=1S/C17H12ClN3OS/c18-11-5-7-13(8-6-11)23-10-12-9-16(22)21-15-4-2-1-3-14(15)20-17(21)19-12/h1-9H,10H2,(H,19,20)

InChI Key

ZHKHBTGCVYXPAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.50

Polar Surface Area

38.326

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D718-0168 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D718-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0168?
Check Price and Availability of D718-0168, 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 D718-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0168
  • 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 D718-0168 available by request