8004-9530 Screening compound: 3'-tert-butyl 5'-ethyl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

8004-9530 Screening compound: 3'-tert-butyl 5'-ethyl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
8004-9530 Screening compound: 3'-tert-butyl 5'-ethyl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9530
3'-tert-butyl 5'-ethyl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

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

8004-9530

Molecular Formula

C21H24N2O6 (C21 H24 N2 O6)

Compound Name

3'-tert-butyl 5'-ethyl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

IUPAC name

3'-tert-butyl 5'-ethyl 2'-amino-6'-methyl-2-oxo-12-dihydrospiro[indole-34'-pyran]-3'5'-dicarboxylate

SMILES

CCOC(C(C1(c(cccc2)c2N2)C2=O)=C(C)OC(N)=C1C(OC(C)(C)C)=O)=O

InChI

InChI=1S/C21H24N2O6/c1-6-27-17(24)14-11(2)28-16(22)15(18(25)29-20(3,4)5)21(14)12-9-7-8-10-13(12)23-19(21)26/h7-10H,6,22H2,1-5H3,(H,23,26)/t21-/m0/s1

InChI Key

OXTVBRNDWXOIIZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00746947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.46

Polar Surface Area

95.497

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8004-9530 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8004-9530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9530?
Check Price and Availability of 8004-9530, 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 8004-9530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9530
  • 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 8004-9530 available by request