C406-0036 Screening compound: propan-2-yl 4-{3,4-dimethyl-6-oxo-1H,6H-pyrano[2,3-c]pyrazol-1-yl}benzoate

C406-0036 Screening compound: propan-2-yl 4-{3,4-dimethyl-6-oxo-1H,6H-pyrano[2,3-c]pyrazol-1-yl}benzoate
C406-0036 Screening compound: propan-2-yl 4-{3,4-dimethyl-6-oxo-1H,6H-pyrano[2,3-c]pyrazol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C406-0036
propan-2-yl 4-{3,4-dimethyl-6-oxo-1H,6H-pyrano[2,3-c]pyrazol-1-yl}benzoate

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

C406-0036

Molecular Formula

C18H18N2O4 (C18 H18 N2 O4)

Compound Name

propan-2-yl 4-{3,4-dimethyl-6-oxo-1H,6H-pyrano[2,3-c]pyrazol-1-yl}benzoate

IUPAC name

propan-2-yl 4-{34-dimethyl-6-oxo-1H6H-pyrano[23-c]pyrazol-1-yl}benzoate

SMILES

CC(C)OC(c(cc1)ccc1-n1nc(C)c(C(C)=C2)c1OC2=O)=O

InChI

InChI=1S/C18H18N2O4/c1-10(2)23-18(22)13-5-7-14(8-6-13)20-17-16(12(4)19-20)11(3)9-15(21)24-17/h5-10H,1-4H3

InChI Key

DUJXCFBKOAVFPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.27

Polar Surface Area

54.101

Acid Dissociation Constant (pKa)

29.12

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C406-0036 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C406-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C406-0036?
Check Price and Availability of C406-0036, 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 C406-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C406-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C406-0036
  • 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 C406-0036 available by request