6187-0368 Screening compound: ethyl 2,7-dimethyl-5-(2-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

6187-0368 Screening compound: ethyl 2,7-dimethyl-5-(2-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
6187-0368 Screening compound: ethyl 2,7-dimethyl-5-(2-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-0368
ethyl 2,7-dimethyl-5-(2-nitrophenyl)-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

6187-0368

Molecular Formula

C17H17N3O5S (C17 H17 N3 O5 S)

Compound Name

ethyl 2,7-dimethyl-5-(2-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 27-dimethyl-5-(2-nitrophenyl)-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cccc1)c1[N+]([O-])=O)N12)=C(C)N=C1SC(C)C2=O)=O

InChI

InChI=1S/C17H17N3O5S/c1-4-25-16(22)13-9(2)18-17-19(15(21)10(3)26-17)14(13)11-7-5-6-8-12(11)20(23)24/h5-8,10,14H,4H2,1-3H3

InChI Key

FTHVLVGTQCRHIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-2.94

Polar Surface Area

79.100

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 6187-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0368?
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What is the minimum amount of 6187-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0368
  • 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 6187-0368 available by request