3394-0171 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl furan-2-carboxylate

3394-0171 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl furan-2-carboxylate
3394-0171 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3394-0171
4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl 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

3394-0171

Molecular Formula

C28H24N4O8 (C28 H24 N4 O8)

Compound Name

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

IUPAC name

4-[6-amino-5-cyano-3-(345-trimethoxyphenyl)-1H4H-pyrano[23-c]pyrazol-4-yl]-2-methoxyphenyl furan-2-carboxylate

SMILES

COc(cc(C1C(C#N)=C(N)Oc2c1c(-c(cc1OC)cc(OC)c1OC)n[nH]2)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C28H24N4O8/c1-34-19-10-14(7-8-17(19)39-28(33)18-6-5-9-38-18)22-16(13-29)26(30)40-27-23(22)24(31-32-27)15-11-20(35-2)25(37-4)21(12-15)36-3/h5-12,22H,30H2,1-4H3,(H,31,32)/t22-/m0/s1

InChI Key

VYOKVMHWOINYEE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01971784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.48

Polar Surface Area

130.124

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 3394-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3394-0171?
Check Price and Availability of 3394-0171, 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 3394-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3394-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3394-0171
  • 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 3394-0171 available by request