Y505-4100 Screening compound: 2-AMINO-4-[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE

Y505-4100 Screening compound: 2-AMINO-4-[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE
Y505-4100 Screening compound: 2-AMINO-4-[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-4100
2-AMINO-4-[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE

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

Y505-4100

Molecular Formula

C15H13F3N4O2 (C15 H13 F3 N4 O2)

Compound Name

2-AMINO-4-[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE

IUPAC name

n/a

SMILES

Cn1nc(C(F)(F)F)cc1C1C(C#N)=C(N)OC(CCC2)=C1C2=O

InChI

InChI=1S/C15H13F3N4O2/c1-22-8(5-11(21-22)15(16,17)18)12-7(6-19)14(20)24-10-4-2-3-9(23)13(10)12/h5,12H,2-4,20H2,1H3/t12-/m0/s1

InChI Key

ROAFWADIKBHWCA-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.090

Distribution Coefficient, logD

1.090

Water Solubility, LogSw

-1.52

Polar Surface Area

73.118

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y505-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-4100?
Check Price and Availability of Y505-4100, 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 Y505-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-4100
  • 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 Y505-4100 available by request