6187-0513 Screening compound: benzyl 5-[4-(acetyloxy)phenyl]-2,7-dimethyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

6187-0513 Screening compound: benzyl 5-[4-(acetyloxy)phenyl]-2,7-dimethyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
6187-0513 Screening compound: benzyl 5-[4-(acetyloxy)phenyl]-2,7-dimethyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-0513
benzyl 5-[4-(acetyloxy)phenyl]-2,7-dimethyl-3-oxo-2H,3H,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

6187-0513

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

benzyl 5-[4-(acetyloxy)phenyl]-2,7-dimethyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

benzyl 5-[4-(acetyloxy)phenyl]-27-dimethyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C(N1C2c(cc3)ccc3OC(C)=O)=O)SC1=NC(C)=C2C(OCc1ccccc1)=O

InChI

InChI=1S/C24H22N2O5S/c1-14-20(23(29)30-13-17-7-5-4-6-8-17)21(26-22(28)15(2)32-24(26)25-14)18-9-11-19(12-10-18)31-16(3)27/h4-12,15,21H,13H2,1-3H3

InChI Key

ANAZPUDWVHULHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.389

Water Solubility, LogSw

-3.75

Polar Surface Area

66.874

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6187-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0513?
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What is the minimum amount of 6187-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0513
  • 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 6187-0513 available by request