3448-8247 Screening compound: 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl morpholine-4-carboxylate

3448-8247 Screening compound: 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl morpholine-4-carboxylate
3448-8247 Screening compound: 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-8247
4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl 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

3448-8247

Molecular Formula

C26H24N6O8 (C26 H24 N6 O8)

Compound Name

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

IUPAC name

4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H4H-pyrano[23-c]pyrazol-4-yl]-26-dimethoxyphenyl morpholine-4-carboxylate

SMILES

COc1cc(C2C(C#N)=C(N)Oc3c2c(-c2cccc([N+]([O-])=O)c2)n[nH]3)cc(OC)c1OC(N1CCOCC1)=O

InChI

InChI=1S/C26H24N6O8/c1-36-18-11-15(12-19(37-2)23(18)39-26(33)31-6-8-38-9-7-31)20-17(13-27)24(28)40-25-21(20)22(29-30-25)14-4-3-5-16(10-14)32(34)35/h3-5,10-12,20H,6-9,28H2,1-2H3,(H,29,30)/t20-/m0/s1

InChI Key

PXBCDUKHBZOGPE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01971965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-3.12

Polar Surface Area

149.794

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 3448-8247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-8247?
Check Price and Availability of 3448-8247, 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 3448-8247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-8247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-8247
  • 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 3448-8247 available by request