Y021-1305 Screening compound: methyl 7-[4-methyl-2-(morpholin-4-yl)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Y021-1305 Screening compound: methyl 7-[4-methyl-2-(morpholin-4-yl)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Y021-1305 Screening compound: methyl 7-[4-methyl-2-(morpholin-4-yl)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1305
methyl 7-[4-methyl-2-(morpholin-4-yl)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

Y021-1305

Molecular Formula

C16H17N7O3 (C16 H17 N7 O3)

Compound Name

methyl 7-[4-methyl-2-(morpholin-4-yl)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

methyl 7-[4-methyl-2-(morpholin-4-yl)pyrimidin-5-yl]-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

Cc(nc(N1CCOCC1)nc1)c1-c(n1ncnc1nc1)c1C(OC)=O

InChI

InChI=1S/C16H17N7O3/c1-10-11(7-18-16(21-10)22-3-5-26-6-4-22)13-12(14(24)25-2)8-17-15-19-9-20-23(13)15/h7-9H,3-6H2,1-2H3

InChI Key

PQDHYJIQUHVPMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31614971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.307

Distribution Coefficient, logD

0.307

Water Solubility, LogSw

-1.53

Polar Surface Area

82.151

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y021-1305 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 Y021-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1305?
Check Price and Availability of Y021-1305, 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 Y021-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1305
  • 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 Y021-1305 available by request