3394-0129 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate

3394-0129 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate
3394-0129 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3394-0129
4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate

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

3394-0129

Molecular Formula

C26H26N4O8 (C26 H26 N4 O8)

Compound Name

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

IUPAC name

4-[6-amino-5-cyano-3-(345-trimethoxyphenyl)-1H4H-pyrano[23-c]pyrazol-4-yl]-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(C1C(C#N)=C(N)Oc2c1c(-c(cc1OC)cc(OC)c1OC)n[nH]2)c1)c1OC)=O

InChI

InChI=1S/C26H26N4O8/c1-12(31)37-24-18(34-4)7-13(8-19(24)35-5)20-15(11-27)25(28)38-26-21(20)22(29-30-26)14-9-16(32-2)23(36-6)17(10-14)33-3/h7-10,20H,28H2,1-6H3,(H,29,30)/t20-/m0/s1

InChI Key

MSANEFHPGMFNHN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01971750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.51

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

2.182

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.61

Polar Surface Area

129.636

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 3394-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3394-0129?
Check Price and Availability of 3394-0129, 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 3394-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3394-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3394-0129
  • 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 3394-0129 available by request