8017-2449 Screening compound: 4-(3-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione

8017-2449 Screening compound: 4-(3-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione
8017-2449 Screening compound: 4-(3-fluorophenyl)-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 8017-2449
4-(3-fluorophenyl)-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

8017-2449

Molecular Formula

C15H10FN3O2S (C15 H10 FN3 O2 S)

Compound Name

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

IUPAC name

10-(3-fluorophenyl)-5-thia-2713-triazatricyclo[7.4.0.0^{26}]trideca-1(9)36-triene-812-dione

SMILES

O=C(CC1c2cc(F)ccc2)NC(N(C=CS2)C2=N2)=C1C2=O

InChI

InChI=1S/C15H10FN3O2S/c16-9-3-1-2-8(6-9)10-7-11(20)17-13-12(10)14(21)18-15-19(13)4-5-22-15/h1-6,10H,7H2,(H,17,20)/t10-/m0/s1

InChI Key

DZCUSRROWHJFOH-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06015253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.973

Distribution Coefficient, logD

0.839

Water Solubility, LogSw

-2.27

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

13.33

8017-2449 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-2449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2449?
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What is the minimum amount of 8017-2449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2449
  • 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 8017-2449 available by request