D503-0256 Screening compound: ethyl 5-amino-1-[3,5-dimethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxylate

D503-0256 Screening compound: ethyl 5-amino-1-[3,5-dimethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxylate
D503-0256 Screening compound: ethyl 5-amino-1-[3,5-dimethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D503-0256
ethyl 5-amino-1-[3,5-dimethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1H-pyrazole-4-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

D503-0256

Molecular Formula

C21H22N6O2 (C21 H22 N6 O2)

Compound Name

ethyl 5-amino-1-[3,5-dimethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 5-amino-1-[35-dimethyl-2-(3-methylphenyl)pyrazolo[15-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxylate

SMILES

CCOC(c1c(N)n(-c2cc(C)nc3c(C)c(-c4cc(C)ccc4)nn23)nc1)=O

InChI

InChI=1S/C21H22N6O2/c1-5-29-21(28)16-11-23-26(19(16)22)17-10-13(3)24-20-14(4)18(25-27(17)20)15-8-6-7-12(2)9-15/h6-11H,5,22H2,1-4H3

InChI Key

SERUDSKGGVSECB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-4.22

Polar Surface Area

73.668

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D503-0256 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D503-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D503-0256?
Check Price and Availability of D503-0256, 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 D503-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D503-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D503-0256
  • 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 D503-0256 available by request