5196-0076 Screening compound: methyl 2-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}sulfanyl)benzoate

5196-0076 Screening compound: methyl 2-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}sulfanyl)benzoate
5196-0076 Screening compound: methyl 2-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}sulfanyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5196-0076
methyl 2-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}sulfanyl)benzoate

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

5196-0076

Molecular Formula

C20H15N3O2S (C20 H15 N3 O2 S)

Compound Name

methyl 2-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}sulfanyl)benzoate

IUPAC name

methyl 2-({2-phenylimidazo[12-a]pyrimidin-3-yl}sulfanyl)benzoate

SMILES

COC(c(cccc1)c1Sc1c(-c2ccccc2)nc2ncccn12)=O

InChI

InChI=1S/C20H15N3O2S/c1-25-19(24)15-10-5-6-11-16(15)26-18-17(14-8-3-2-4-9-14)22-20-21-12-7-13-23(18)20/h2-13H,1H3

InChI Key

UKGRHTMVPYIDRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.668

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-4.02

Polar Surface Area

40.723

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

5196-0076 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 5196-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5196-0076?
Check Price and Availability of 5196-0076, 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 5196-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5196-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5196-0076
  • 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 5196-0076 available by request