8017-8721 Screening compound: methyl 2'-amino-3'-cyano-1-ethyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate

8017-8721 Screening compound: methyl 2'-amino-3'-cyano-1-ethyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate
8017-8721 Screening compound: methyl 2'-amino-3'-cyano-1-ethyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8721
methyl 2'-amino-3'-cyano-1-ethyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-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

8017-8721

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

methyl 2'-amino-3'-cyano-1-ethyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate

IUPAC name

methyl 2'-amino-3'-cyano-1-ethyl-6'-methyl-2-oxo-12-dihydrospiro[indole-34'-pyran]-5'-carboxylate

SMILES

CCN(C(C12C(C#N)=C(N)OC(C)=C1C(OC)=O)=O)c1c2cccc1

InChI

InChI=1S/C18H17N3O4/c1-4-21-13-8-6-5-7-11(13)18(17(21)23)12(9-19)15(20)25-10(2)14(18)16(22)24-3/h5-8H,4,20H2,1-3H3/t18-/m1/s1

InChI Key

WWBCUMWSJMEGCH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06618899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.523

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-2.20

Polar Surface Area

83.331

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

8017-8721 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-8721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8721?
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What is the minimum amount of 8017-8721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8721
  • 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 8017-8721 available by request