K310-0088 Screening compound: 2-(4-bromophenyl)-N~7~-(2,3-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

K310-0088 Screening compound: 2-(4-bromophenyl)-N~7~-(2,3-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
K310-0088 Screening compound: 2-(4-bromophenyl)-N~7~-(2,3-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 K310-0088
2-(4-bromophenyl)-N~7~-(2,3-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

K310-0088

Molecular Formula

C24H19BrN4O2S2 (C24 H19 BrN4 O2 S2)

Compound Name

2-(4-bromophenyl)-N~7~-(2,3-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-(4-bromophenyl)-N-(23-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)c(C)ccc2)=O)sc(N=C2SCC(c(cc3)ccc3Br)=NN22)c1C2=O

InChI

InChI=1S/C24H19BrN4O2S2/c1-12-5-4-6-17(13(12)2)26-21(30)20-14(3)19-22(33-20)27-24-29(23(19)31)28-18(11-32-24)15-7-9-16(25)10-8-15/h4-10H,11H2,1-3H3,(H,26,30)

InChI Key

WHIBWYQLKPPEGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.48

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

6.005

Distribution Coefficient, logD

6.000

Water Solubility, LogSw

-5.56

Polar Surface Area

59.859

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K310-0088 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K310-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0088?
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What is the minimum amount of K310-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0088
  • 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 K310-0088 available by request