Y021-1306 Screening compound: methyl 4'-methyl-2'-(morpholin-4-yl)-2-(phenylamino)-[4,5'-bipyrimidine]-5-carboxylate

Y021-1306 Screening compound: methyl 4'-methyl-2'-(morpholin-4-yl)-2-(phenylamino)-[4,5'-bipyrimidine]-5-carboxylate
Y021-1306 Screening compound: methyl 4'-methyl-2'-(morpholin-4-yl)-2-(phenylamino)-[4,5'-bipyrimidine]-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1306
methyl 4'-methyl-2'-(morpholin-4-yl)-2-(phenylamino)-[4,5'-bipyrimidine]-5-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

Y021-1306

Molecular Formula

C21H22N6O3 (C21 H22 N6 O3)

Compound Name

methyl 4'-methyl-2'-(morpholin-4-yl)-2-(phenylamino)-[4,5'-bipyrimidine]-5-carboxylate

IUPAC name

methyl 4'-methyl-2'-(morpholin-4-yl)-2-(phenylamino)-[45'-bipyrimidine]-5-carboxylate

SMILES

Cc(nc(N1CCOCC1)nc1)c1-c(nc(Nc1ccccc1)nc1)c1C(OC)=O

InChI

InChI=1S/C21H22N6O3/c1-14-16(12-23-21(24-14)27-8-10-30-11-9-27)18-17(19(28)29-2)13-22-20(26-18)25-15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3,(H,22,25,26)

InChI Key

ANHNOSTZPFKCKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31614972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

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

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.16

Polar Surface Area

81.008

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y021-1306 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 Y021-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1306?
Check Price and Availability of Y021-1306, 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 Y021-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1306
  • 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 Y021-1306 available by request