8012-4094 Screening compound: 3-[6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl morpholine-4-carboxylate

8012-4094 Screening compound: 3-[6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl morpholine-4-carboxylate
8012-4094 Screening compound: 3-[6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4094
3-[6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl 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

8012-4094

Molecular Formula

C27H27N5O6 (C27 H27 N5 O6)

Compound Name

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

IUPAC name

3-[6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-1H4H-pyrano[23-c]pyrazol-4-yl]phenyl morpholine-4-carboxylate

SMILES

CCOc(ccc(-c1n[nH]c2c1C(c1cccc(OC(N3CCOCC3)=O)c1)C(C#N)=C(N)O2)c1)c1OC

InChI

InChI=1S/C27H27N5O6/c1-3-36-20-8-7-17(14-21(20)34-2)24-23-22(19(15-28)25(29)38-26(23)31-30-24)16-5-4-6-18(13-16)37-27(33)32-9-11-35-12-10-32/h4-8,13-14,22H,3,9-12,29H2,1-2H3,(H,30,31)/t22-/m0/s1

InChI Key

WLABRUSUWRMOAQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03035986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.01

Polar Surface Area

115.819

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 8012-4094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4094?
Check Price and Availability of 8012-4094, 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 8012-4094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4094
  • 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 8012-4094 available by request