6000-0062 Screening compound: prop-2-en-1-yl 6-(3,4-dichlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

6000-0062 Screening compound: prop-2-en-1-yl 6-(3,4-dichlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
6000-0062 Screening compound: prop-2-en-1-yl 6-(3,4-dichlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6000-0062
prop-2-en-1-yl 6-(3,4-dichlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-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

6000-0062

Molecular Formula

C18H16Cl2N2O3S (C18 H16 Cl2 N2 O3 S)

Compound Name

prop-2-en-1-yl 6-(3,4-dichlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

prop-2-en-1-yl 6-(34-dichlorophenyl)-8-methyl-4-oxo-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CC(N=C(N1C2c(cc3)cc(Cl)c3Cl)SCCC1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C18H16Cl2N2O3S/c1-3-7-25-17(24)15-10(2)21-18-22(14(23)6-8-26-18)16(15)11-4-5-12(19)13(20)9-11/h3-5,9,16H,1,6-8H2,2H3/t16-/m0/s1

InChI Key

VBSGCXRSQWGMPT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03530033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-4.41

Polar Surface Area

46.225

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

6000-0062 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6000-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6000-0062?
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What is the minimum amount of 6000-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6000-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6000-0062
  • 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 6000-0062 available by request