K780-0872 Screening compound: ethyl 7-methyl-3,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

K780-0872 Screening compound: ethyl 7-methyl-3,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
K780-0872 Screening compound: ethyl 7-methyl-3,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0872
ethyl 7-methyl-3,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

K780-0872

Molecular Formula

C22H20N2O2S (C22 H20 N2 O2 S)

Compound Name

ethyl 7-methyl-3,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-methyl-35-diphenyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)N=C2SC=C(c3ccccc3)N2C1c1ccccc1)=O

InChI

InChI=1S/C22H20N2O2S/c1-3-26-21(25)19-15(2)23-22-24(20(19)17-12-8-5-9-13-17)18(14-27-22)16-10-6-4-7-11-16/h4-14,20H,3H2,1-2H3/t20-/m1/s1

InChI Key

GLMSPFYXFPLBRT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15093816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.62

Polar Surface Area

32.186

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

K780-0872 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K780-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0872?
Check Price and Availability of K780-0872, 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 K780-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0872
  • 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 K780-0872 available by request