K310-0018 Screening compound: 2-(5-chloro-2-thienyl)-N~7~-(2,4-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

K310-0018 Screening compound: 2-(5-chloro-2-thienyl)-N~7~-(2,4-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
K310-0018 Screening compound: 2-(5-chloro-2-thienyl)-N~7~-(2,4-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K310-0018
2-(5-chloro-2-thienyl)-N~7~-(2,4-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

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

K310-0018

Molecular Formula

C22H17ClN4O2S3 (C22 H17 ClN4 O2 S3)

Compound Name

2-(5-chloro-2-thienyl)-N~7~-(2,4-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

12-(5-chlorothiophen-2-yl)-N-(24-dimethylphenyl)-4-methyl-2-oxo-610-dithia-1813-triazatricyclo[7.4.0.0^{37}]trideca-3(7)4812-tetraene-5-carboxamide

SMILES

Cc1c(C(Nc2c(C)cc(C)cc2)=O)sc(N=C2SCC(c(s3)ccc3Cl)=NN22)c1C2=O

InChI

InChI=1S/C22H17ClN4O2S3/c1-10-4-5-13(11(2)8-10)24-19(28)18-12(3)17-20(32-18)25-22-27(21(17)29)26-14(9-30-22)15-6-7-16(23)31-15/h4-8H,9H2,1-3H3,(H,24,28)

InChI Key

ULYFWZHMNVXQAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.587

Distribution Coefficient, logD

5.585

Water Solubility, LogSw

-6.12

Polar Surface Area

60.877

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with K310-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0018?
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What is the minimum amount of K310-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0018
  • 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 K310-0018 available by request