8017-2195 Screening compound: 4-[4-(methylsulfanyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione

8017-2195 Screening compound: 4-[4-(methylsulfanyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione
8017-2195 Screening compound: 4-[4-(methylsulfanyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2195
4-[4-(methylsulfanyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-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

8017-2195

Molecular Formula

C16H13N3O2S2 (C16 H13 N3 O2 S2)

Compound Name

4-[4-(methylsulfanyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione

IUPAC name

10-[4-(methylsulfanyl)phenyl]-5-thia-2713-triazatricyclo[7.4.0.0^{26}]trideca-1(9)36-triene-812-dione

SMILES

CSc1ccc(C(CC(N2)=O)C3=C2N(C=CS2)C2=NC3=O)cc1

InChI

InChI=1S/C16H13N3O2S2/c1-22-10-4-2-9(3-5-10)11-8-12(20)17-14-13(11)15(21)18-16-19(14)6-7-23-16/h2-7,11H,8H2,1H3,(H,17,20)/t11-/m0/s1

InChI Key

IKHXDYUYBFYQEL-NSHDSACASA-N

MDL Number (MFCD)

MFCD06015044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.569

Distribution Coefficient, logD

1.435

Water Solubility, LogSw

-2.35

Polar Surface Area

49.727

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

8017-2195 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2195?
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What is the minimum amount of 8017-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2195
  • 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 8017-2195 available by request