S397-0750 Screening compound: 1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid

S397-0750 Screening compound: 1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid
S397-0750 Screening compound: 1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0750
1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic 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

S397-0750

Molecular Formula

C10H14N2O4 (C10 H14 N2 O4)

Compound Name

1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid

IUPAC name

1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxylic acid

SMILES

COCCn1nc(C(O)=O)c2c1CCOC2

InChI

InChI=1S/C10H14N2O4/c1-15-5-3-12-8-2-4-16-6-7(8)9(11-12)10(13)14/h2-6H2,1H3,(H,13,14)

InChI Key

BTBIKNQAMJWGPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32200589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.767

Distribution Coefficient, logD

-4.148

Water Solubility, LogSw

0.46

Polar Surface Area

60.026

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S397-0750 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S397-0750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0750?
Check Price and Availability of S397-0750, 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 S397-0750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0750
  • 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 S397-0750 available by request