8020-4119 Screening compound: ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

8020-4119 Screening compound: ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
8020-4119 Screening compound: ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4119
ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-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

8020-4119

Molecular Formula

C22H16N4O2S (C22 H16 N4 O2 S)

Compound Name

ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

IUPAC name

ethyl 45-dicyano-11-methyl-13-phenyl-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35911-pentaene-12-carboxylate

SMILES

CCOC(C1=C(C)N=C2Sc(cc(c(C#N)c3)C#N)c3N2C1c1ccccc1)=O

InChI

InChI=1S/C22H16N4O2S/c1-3-28-21(27)19-13(2)25-22-26(20(19)14-7-5-4-6-8-14)17-9-15(11-23)16(12-24)10-18(17)29-22/h4-10,20H,3H2,1-2H3/t20-/m1/s1

InChI Key

LYFRHYDRYBHKLP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD25975691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-4.18

Polar Surface Area

66.076

Acid Dissociation Constant (pKa)

26.51

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8020-4119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4119?
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What is the minimum amount of 8020-4119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4119
  • 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 8020-4119 available by request