8017-1299 Screening compound: 6-[4-(1H-pyrrol-1-yl)phenyl]-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8017-1299 Screening compound: 6-[4-(1H-pyrrol-1-yl)phenyl]-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8017-1299 Screening compound: 6-[4-(1H-pyrrol-1-yl)phenyl]-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1299
6-[4-(1H-pyrrol-1-yl)phenyl]-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

8017-1299

Molecular Formula

C15H10F3N5S (C15 H10 F3 N5 S)

Compound Name

6-[4-(1H-pyrrol-1-yl)phenyl]-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

1-{4-[3-(trifluoromethyl)-7H-[124]triazolo[34-b][134]thiadiazin-6-yl]phenyl}-1H-pyrrole

SMILES

FC(c1nnc2SCC(c(cc3)ccc3-n3cccc3)=Nn12)(F)F

InChI

InChI=1S/C15H10F3N5S/c16-15(17,18)13-19-20-14-23(13)21-12(9-24-14)10-3-5-11(6-4-10)22-7-1-2-8-22/h1-8H,9H2

InChI Key

WCXWQDPPIJZQEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.726

Water Solubility, LogSw

-4.19

Polar Surface Area

38.216

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8017-1299 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-1299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1299?
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What is the minimum amount of 8017-1299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1299
  • 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 8017-1299 available by request