K310-0002 Screening compound: methyl 2-(4-bromophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate

K310-0002 Screening compound: methyl 2-(4-bromophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
K310-0002 Screening compound: methyl 2-(4-bromophenyl)-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 K310-0002
methyl 2-(4-bromophenyl)-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

K310-0002

Molecular Formula

C17H12BrN3O3S2 (C17 H12 BrN3 O3 S2)

Compound Name

methyl 2-(4-bromophenyl)-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-(4-bromophenyl)-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(c(cc3)ccc3Br)=NN22)c1C2=O

InChI

InChI=1S/C17H12BrN3O3S2/c1-8-12-14(26-13(8)16(23)24-2)19-17-21(15(12)22)20-11(7-25-17)9-3-5-10(18)6-4-9/h3-6H,7H2,1-2H3

InChI Key

ARLYHPBJJJMZEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.42

Polar Surface Area

58.640

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with K310-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0002?
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What is the minimum amount of K310-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0002
  • 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 K310-0002 available by request