6187-0813 Screening compound: prop-2-en-1-yl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

6187-0813 Screening compound: prop-2-en-1-yl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
6187-0813 Screening compound: prop-2-en-1-yl 5-(3,4-dimethoxyphenyl)-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 6187-0813
prop-2-en-1-yl 5-(3,4-dimethoxyphenyl)-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

6187-0813

Molecular Formula

C20H22N2O5S (C20 H22 N2 O5 S)

Compound Name

prop-2-en-1-yl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

prop-2-en-1-yl 5-(34-dimethoxyphenyl)-27-dimethyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C(N1C2c(cc3)cc(OC)c3OC)=O)SC1=NC(C)=C2C(OCC=C)=O

InChI

InChI=1S/C20H22N2O5S/c1-6-9-27-19(24)16-11(2)21-20-22(18(23)12(3)28-20)17(16)13-7-8-14(25-4)15(10-13)26-5/h6-8,10,12,17H,1,9H2,2-5H3

InChI Key

HTDIBVVLGLSWGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-2.84

Polar Surface Area

61.574

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 6187-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0813?
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What is the minimum amount of 6187-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0813
  • 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 6187-0813 available by request