3456-1357 Screening compound: 6-amino-4-(3-ethoxy-4-methoxyphenyl)-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

3456-1357 Screening compound: 6-amino-4-(3-ethoxy-4-methoxyphenyl)-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
3456-1357 Screening compound: 6-amino-4-(3-ethoxy-4-methoxyphenyl)-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-1357
6-amino-4-(3-ethoxy-4-methoxyphenyl)-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

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

3456-1357

Molecular Formula

C22H19N5O5 (C22 H19 N5 O5)

Compound Name

6-amino-4-(3-ethoxy-4-methoxyphenyl)-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(3-ethoxy-4-methoxyphenyl)-3-(3-nitrophenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

CCOc(cc(C1C(C#N)=C(N)Oc2c1c(-c1cccc([N+]([O-])=O)c1)n[nH]2)cc1)c1OC

InChI

InChI=1S/C22H19N5O5/c1-3-31-17-10-12(7-8-16(17)30-2)18-15(11-23)21(24)32-22-19(18)20(25-26-22)13-5-4-6-14(9-13)27(28)29/h4-10,18H,3,24H2,1-2H3,(H,25,26)/t18-/m0/s1

InChI Key

IHKSXNPCNOLBHL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01971950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.31

Polar Surface Area

118.695

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3456-1357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-1357?
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What is the minimum amount of 3456-1357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-1357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-1357
  • 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 3456-1357 available by request