8003-0371 Screening compound: ethyl 2-amino-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate

8003-0371 Screening compound: ethyl 2-amino-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
8003-0371 Screening compound: ethyl 2-amino-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0371
ethyl 2-amino-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-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

8003-0371

Molecular Formula

C19H18N2O5 (C19 H18 N2 O5)

Compound Name

ethyl 2-amino-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate

IUPAC name

ethyl 2-amino-2'5-dioxo-1'2'5678-hexahydrospiro[chromene-43'-indole]-3-carboxylate

SMILES

CCOC(C(C1(c(cccc2)c2N2)C2=O)=C(N)OC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C19H18N2O5/c1-2-25-17(23)15-16(20)26-13-9-5-8-12(22)14(13)19(15)10-6-3-4-7-11(10)21-18(19)24/h3-4,6-7H,2,5,8-9,20H2,1H3,(H,21,24)/t19-/m1/s1

InChI Key

COEZGGSAVVOELU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00742723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.798

Distribution Coefficient, logD

1.798

Water Solubility, LogSw

-2.59

Polar Surface Area

88.543

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

8003-0371 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Structure:
  • Pool
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 8003-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0371?
Check Price and Availability of 8003-0371, 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 8003-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0371
  • 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 8003-0371 available by request