8018-0186 Screening compound: 3-(3-nitrophenyl)-4-(2,3,4-trimethoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one

8018-0186 Screening compound: 3-(3-nitrophenyl)-4-(2,3,4-trimethoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one
8018-0186 Screening compound: 3-(3-nitrophenyl)-4-(2,3,4-trimethoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0186
3-(3-nitrophenyl)-4-(2,3,4-trimethoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one

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

8018-0186

Molecular Formula

C21H19N3O7 (C21 H19 N3 O7)

Compound Name

3-(3-nitrophenyl)-4-(2,3,4-trimethoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one

IUPAC name

3-(3-nitrophenyl)-4-(234-trimethoxyphenyl)-1H4H5H6H-pyrano[23-c]pyrazol-6-one

SMILES

COc(ccc(C(C1)c(c(-c2cccc([N+]([O-])=O)c2)n[nH]2)c2OC1=O)c1OC)c1OC

InChI

InChI=1S/C21H19N3O7/c1-28-15-8-7-13(19(29-2)20(15)30-3)14-10-16(25)31-21-17(14)18(22-23-21)11-5-4-6-12(9-11)24(26)27/h4-9,14H,10H2,1-3H3,(H,22,23)/t14-/m1/s1

InChI Key

YUMZVLHRRCNMOL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07021922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.74

Polar Surface Area

101.000

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8018-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0186?
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What is the minimum amount of 8018-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0186
  • 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 8018-0186 available by request