8019-6469 Screening compound: 3-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid

8019-6469 Screening compound: 3-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid
8019-6469 Screening compound: 3-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6469
3-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid

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

8019-6469

Molecular Formula

C9H10N4O3 (C9 H10 N4 O3)

Compound Name

3-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid

IUPAC name

3-{1-methyl-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-5-yl}propanoic acid

SMILES

Cn1ncc2c1N=CN(CCC(O)=O)C2=O

InChI

InChI=1S/C9H10N4O3/c1-12-8-6(4-11-12)9(16)13(5-10-8)3-2-7(14)15/h4-5H,2-3H2,1H3,(H,14,15)

InChI Key

JTHJOYJSCZWPGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08691207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.299

Distribution Coefficient, logD

-3.832

Water Solubility, LogSw

-0.94

Polar Surface Area

69.345

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8019-6469 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8019-6469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6469?
Check Price and Availability of 8019-6469, 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 8019-6469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6469
  • 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 8019-6469 available by request