8019-8413 Screening compound: methyl 2-[6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate

8019-8413 Screening compound: methyl 2-[6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate
8019-8413 Screening compound: methyl 2-[6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8413
methyl 2-[6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate

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

8019-8413

Molecular Formula

C18H16N4O6 (C18 H16 N4 O6)

Compound Name

methyl 2-[6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate

IUPAC name

methyl 2-[6-amino-5-cyano-4-(7-methoxy-2H-13-benzodioxol-5-yl)-2H4H-pyrano[23-c]pyrazol-3-yl]acetate

SMILES

COC(Cc1c(C(c2cc(OC)c3OCOc3c2)C(C#N)=C(N)O2)c2n[nH]1)=O

InChI

InChI=1S/C18H16N4O6/c1-24-11-3-8(4-12-16(11)27-7-26-12)14-9(6-19)17(20)28-18-15(14)10(21-22-18)5-13(23)25-2/h3-4,14H,5,7,20H2,1-2H3,(H,21,22)/t14-/m0/s1

InChI Key

CKEMDZVHOKNDRL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD12033828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.223

Distribution Coefficient, logD

1.223

Water Solubility, LogSw

-1.94

Polar Surface Area

116.249

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

8019-8413 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8413?
Check Price and Availability of 8019-8413, 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 8019-8413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8413
  • 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 8019-8413 available by request