Y502-6990 Screening compound: [7-(1-ethyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](2-thienyl)methanone

Y502-6990 Screening compound: [7-(1-ethyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](2-thienyl)methanone
Y502-6990 Screening compound: [7-(1-ethyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6990
[7-(1-ethyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](2-thienyl)methanone

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

Y502-6990

Molecular Formula

C16H13F3N6OS (C16 H13 F3 N6 OS)

Compound Name

[7-(1-ethyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](2-thienyl)methanone

IUPAC name

1-ethyl-4-[6-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4H7H-[124]triazolo[15-a]pyrimidin-7-yl]-1H-pyrazole

SMILES

CCn1ncc(C2n3ncnc3NC(C(F)(F)F)=C2C(c2cccs2)=O)c1

InChI

InChI=1S/C16H13F3N6OS/c1-2-24-7-9(6-21-24)12-11(13(26)10-4-3-5-27-10)14(16(17,18)19)23-15-20-8-22-25(12)15/h3-8,12H,2H2,1H3,(H,20,22,23)/t12-/m0/s1

InChI Key

OKLYPTDYLNIFRT-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

0.521

Water Solubility, LogSw

-2.81

Polar Surface Area

67.478

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y502-6990 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y502-6990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6990?
Check Price and Availability of Y502-6990, 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 Y502-6990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6990
  • 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 Y502-6990 available by request