Y502-2772 Screening compound: ethyl 2-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

Y502-2772 Screening compound: ethyl 2-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Y502-2772 Screening compound: ethyl 2-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-2772
ethyl 2-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

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

Y502-2772

Molecular Formula

C21H18N6O3S (C21 H18 N6 O3 S)

Compound Name

ethyl 2-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

IUPAC name

ethyl 4-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-12-methyl-10-thia-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene-11-carboxylate

SMILES

CCOC(c1c(C)c(c2nc(-c3n[nH]c(-c4cc(OC)ccc4)c3)nn2cn2)c2s1)=O

InChI

InChI=1S/C21H18N6O3S/c1-4-30-21(28)17-11(2)16-19-23-18(26-27(19)10-22-20(16)31-17)15-9-14(24-25-15)12-6-5-7-13(8-12)29-3/h5-10H,4H2,1-3H3,(H,24,25)

InChI Key

JXPYICGIIHGTIB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.310

Water Solubility, LogSw

-4.61

Polar Surface Area

81.907

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

Y502-2772 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y502-2772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-2772?
Check Price and Availability of Y502-2772, 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 Y502-2772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-2772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-2772
  • 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 Y502-2772 available by request