3394-0243 Screening compound: 6-amino-3-(3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

3394-0243 Screening compound: 6-amino-3-(3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
3394-0243 Screening compound: 6-amino-3-(3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3394-0243
6-amino-3-(3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-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

3394-0243

Molecular Formula

C22H19N5O6 (C22 H19 N5 O6)

Compound Name

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

IUPAC name

6-amino-3-(3-nitrophenyl)-4-(345-trimethoxyphenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

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

InChI

InChI=1S/C22H19N5O6/c1-30-15-8-12(9-16(31-2)20(15)32-3)17-14(10-23)21(24)33-22-18(17)19(25-26-22)11-5-4-6-13(7-11)27(28)29/h4-9,17H,24H2,1-3H3,(H,25,26)/t17-/m0/s1

InChI Key

CWUXUUQGAMXJBU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01971958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

2.766

Water Solubility, LogSw

-3.36

Polar Surface Area

126.833

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 3394-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3394-0243?
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What is the minimum amount of 3394-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3394-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3394-0243
  • 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 3394-0243 available by request