C998-0648 Screening compound: 2-{3,4-dimethyl[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

C998-0648 Screening compound: 2-{3,4-dimethyl[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
C998-0648 Screening compound: 2-{3,4-dimethyl[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C998-0648
2-{3,4-dimethyl[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

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

C998-0648

Molecular Formula

C22H22N4O3S2 (C22 H22 N4 O3 S2)

Compound Name

2-{3,4-dimethyl[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

IUPAC name

2-[(34-dimethylphenyl)({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)amino]-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazole-55-dione

SMILES

Cc(cc1)c(C)cc1N(CC(N=C1N2C=CC=C1)=CC2=O)C1=NC(CS(C2)(=O)=O)C2S1

InChI

InChI=1S/C22H22N4O3S2/c1-14-6-7-17(9-15(14)2)26(22-24-18-12-31(28,29)13-19(18)30-22)11-16-10-21(27)25-8-4-3-5-20(25)23-16/h3-10,18-19H,11-13H2,1-2H3

InChI Key

TZLSEWCQAIROLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08158450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

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

2.838

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.17

Polar Surface Area

66.002

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C998-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C998-0648?
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What is the minimum amount of C998-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C998-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C998-0648
  • 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 C998-0648 available by request