Y500-1291 Screening compound: 5-(2-furyl)-N-[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Y500-1291 Screening compound: 5-(2-furyl)-N-[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Y500-1291 Screening compound: 5-(2-furyl)-N-[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-1291
5-(2-furyl)-N-[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

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

Y500-1291

Molecular Formula

C22H15F3N6O3S (C22 H15 F3 N6 O3 S)

Compound Name

5-(2-furyl)-N-[2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

5-(furan-2-yl)-N-{10-methyl-12-oxo-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-11-yl}-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

CC(N1NC(c(cnn2c(C(F)(F)F)c3)c2nc3-c2ccco2)=O)=Nc(sc2c3CCC2)c3C1=O

InChI

InChI=1S/C22H15F3N6O3S/c1-10-27-20-17(11-4-2-6-15(11)35-20)21(33)30(10)29-19(32)12-9-26-31-16(22(23,24)25)8-13(28-18(12)31)14-5-3-7-34-14/h3,5,7-9H,2,4,6H2,1H3,(H,29,32)

InChI Key

HTXJYFIFRRUNJP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.895

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.41

Polar Surface Area

78.483

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y500-1291 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 Y500-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-1291?
Check Price and Availability of Y500-1291, 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 Y500-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-1291
  • 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 Y500-1291 available by request