3394-0385 Screening compound: 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl furan-2-carboxylate

3394-0385 Screening compound: 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl furan-2-carboxylate
3394-0385 Screening compound: 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3394-0385
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl furan-2-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

3394-0385

Molecular Formula

C27H20N4O7 (C27 H20 N4 O7)

Compound Name

4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl furan-2-carboxylate

IUPAC name

4-[6-amino-3-(2H-13-benzodioxol-5-yl)-5-cyano-1H4H-pyrano[23-c]pyrazol-4-yl]-2-ethoxyphenyl furan-2-carboxylate

SMILES

CCOc(cc(C1C(C#N)=C(N)Oc2c1c(-c(cc1)cc3c1OCO3)n[nH]2)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C27H20N4O7/c1-2-33-21-10-14(5-8-18(21)37-27(32)19-4-3-9-34-19)22-16(12-28)25(29)38-26-23(22)24(30-31-26)15-6-7-17-20(11-15)36-13-35-17/h3-11,22H,2,13,29H2,1H3,(H,30,31)/t22-/m0/s1

InChI Key

QFUREDCSGFJKOJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01971895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.65

Polar Surface Area

123.842

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 3394-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3394-0385?
Check Price and Availability of 3394-0385, 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 3394-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3394-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3394-0385
  • 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 3394-0385 available by request