K310-0098 Screening compound: 2-(4-bromophenyl)-N~7~-(3-chlorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

K310-0098 Screening compound: 2-(4-bromophenyl)-N~7~-(3-chlorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
K310-0098 Screening compound: 2-(4-bromophenyl)-N~7~-(3-chlorophenyl)-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 K310-0098
2-(4-bromophenyl)-N~7~-(3-chlorophenyl)-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

K310-0098

Molecular Formula

C22H14BrClN4O2S2 (C22 H14 BrClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc2cc(Cl)ccc2)=O)sc(N=C2SCC(c(cc3)ccc3Br)=NN22)c1C2=O

InChI

InChI=1S/C22H14BrClN4O2S2/c1-11-17-20(32-18(11)19(29)25-15-4-2-3-14(24)9-15)26-22-28(21(17)30)27-16(10-31-22)12-5-7-13(23)8-6-12/h2-9H,10H2,1H3,(H,25,29)

InChI Key

PMAQCAKAYUFMRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.87

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

5.930

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-6.20

Polar Surface Area

60.557

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with K310-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0098?
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What is the minimum amount of K310-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0098
  • 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 K310-0098 available by request