Y043-5247 Screening compound: 4-hydroxy-N~3~-(1H-1,2,3,4-tetraazol-5-yl)-6-(trifluoromethoxy)-3-quinolinecarboxamide

Y043-5247 Screening compound: 4-hydroxy-N~3~-(1H-1,2,3,4-tetraazol-5-yl)-6-(trifluoromethoxy)-3-quinolinecarboxamide
Y043-5247 Screening compound: 4-hydroxy-N~3~-(1H-1,2,3,4-tetraazol-5-yl)-6-(trifluoromethoxy)-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5247
4-hydroxy-N~3~-(1H-1,2,3,4-tetraazol-5-yl)-6-(trifluoromethoxy)-3-quinolinecarboxamide

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

Y043-5247

Molecular Formula

C12H7F3N6O3 (C12 H7 F3 N6 O3)

Compound Name

4-hydroxy-N~3~-(1H-1,2,3,4-tetraazol-5-yl)-6-(trifluoromethoxy)-3-quinolinecarboxamide

IUPAC name

4-hydroxy-N-(1H-1234-tetrazol-5-yl)-6-(trifluoromethoxy)quinoline-3-carboxamide

SMILES

Oc1c(cc(cc2)OC(F)(F)F)c2ncc1C(Nc1nnn[nH]1)=O

InChI

InChI=1S/C12H7F3N6O3/c13-12(14,15)24-5-1-2-8-6(3-5)9(22)7(4-16-8)10(23)17-11-18-20-21-19-11/h1-4H,(H,16,22)(H2,17,18,19,20,21,23)

InChI Key

ZGVCZRVZSRBLSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28367406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

-0.761

Water Solubility, LogSw

-2.21

Polar Surface Area

105.116

Acid Dissociation Constant (pKa)

5.03

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

References: we are preparing a list of scientific research reports with Y043-5247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5247?
Check Price and Availability of Y043-5247, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y043-5247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5247
  • 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 Y043-5247 available by request