K310-0021 Screening compound: methyl 2-(3-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate

K310-0021 Screening compound: methyl 2-(3-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
K310-0021 Screening compound: methyl 2-(3-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K310-0021
methyl 2-(3-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-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

K310-0021

Molecular Formula

C18H15N3O4S2 (C18 H15 N3 O4 S2)

Compound Name

methyl 2-(3-methoxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate

IUPAC name

methyl 12-(3-methoxyphenyl)-4-methyl-2-oxo-610-dithia-1813-triazatricyclo[7.4.0.0^{37}]trideca-3(7)4812-tetraene-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N=C2SCC(c3cc(OC)ccc3)=NN22)c1C2=O

InChI

InChI=1S/C18H15N3O4S2/c1-9-13-15(27-14(9)17(23)25-3)19-18-21(16(13)22)20-12(8-26-18)10-5-4-6-11(7-10)24-2/h4-7H,8H2,1-3H3

InChI Key

RDLHVWJXYXVTQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-3.64

Polar Surface Area

66.183

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K310-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0021?
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What is the minimum amount of K310-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0021
  • 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 K310-0021 available by request