8018-0978 Screening compound: methyl 6'-amino-1-methyl-2-oxo-3'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate

8018-0978 Screening compound: methyl 6'-amino-1-methyl-2-oxo-3'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate
8018-0978 Screening compound: methyl 6'-amino-1-methyl-2-oxo-3'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0978
methyl 6'-amino-1-methyl-2-oxo-3'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate

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

8018-0978

Molecular Formula

C22H18N4O4 (C22 H18 N4 O4)

Compound Name

methyl 6'-amino-1-methyl-2-oxo-3'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate

IUPAC name

methyl 6'-amino-1-methyl-2-oxo-3'-phenyl-12-dihydro-1'H-spiro[indole-34'-pyrano[23-c]pyrazole]-5'-carboxylate

SMILES

CN(C(C12C(C(OC)=O)=C(N)Oc3c1c(-c1ccccc1)n[nH]3)=O)c1c2cccc1

InChI

InChI=1S/C22H18N4O4/c1-26-14-11-7-6-10-13(14)22(21(26)28)15-17(12-8-4-3-5-9-12)24-25-19(15)30-18(23)16(22)20(27)29-2/h3-11H,23H2,1-2H3,(H,24,25)/t22-/m1/s1

InChI Key

YMRNBDDOEKEZLI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD07022546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-2.94

Polar Surface Area

90.097

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

8018-0978 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0978?
Check Price and Availability of 8018-0978, 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 8018-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0978
  • 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 8018-0978 available by request