3394-0173 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl morpholine-4-carboxylate

3394-0173 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl morpholine-4-carboxylate
3394-0173 Screening compound: 4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3394-0173
4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl morpholine-4-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

3394-0173

Molecular Formula

C29H31N5O8 (C29 H31 N5 O8)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C1C(C#N)=C(N)Oc2c1c(-c(cc1OC)cc(OC)c1OC)n[nH]2)cc1)c1OC(N1CCOCC1)=O

InChI

InChI=1S/C29H31N5O8/c1-5-40-20-12-16(6-7-19(20)41-29(35)34-8-10-39-11-9-34)23-18(15-30)27(31)42-28-24(23)25(32-33-28)17-13-21(36-2)26(38-4)22(14-17)37-3/h6-7,12-14,23H,5,8-11,31H2,1-4H3,(H,32,33)/t23-/m0/s1

InChI Key

CRYLICZXOKHCKI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01971791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-3.10

Polar Surface Area

131.253

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 3394-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3394-0173?
Check Price and Availability of 3394-0173, 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 3394-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3394-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3394-0173
  • 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 3394-0173 available by request