5587-0274 Screening compound: ethyl 2-amino-1'-(carbamoylmethyl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate

5587-0274 Screening compound: ethyl 2-amino-1'-(carbamoylmethyl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
5587-0274 Screening compound: ethyl 2-amino-1'-(carbamoylmethyl)-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 5587-0274
ethyl 2-amino-1'-(carbamoylmethyl)-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

5587-0274

Molecular Formula

C21H21N3O6 (C21 H21 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1(c(cccc2)c2N2CC(N)=O)C2=O)=C(N)OC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C21H21N3O6/c1-2-29-19(27)17-18(23)30-14-9-5-8-13(25)16(14)21(17)11-6-3-4-7-12(11)24(20(21)28)10-15(22)26/h3-4,6-7H,2,5,8-10,23H2,1H3,(H2,22,26)/t21-/m1/s1

InChI Key

HVBXQWBZCGEHRV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14757558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.605

Distribution Coefficient, logD

0.605

Water Solubility, LogSw

-2.28

Polar Surface Area

112.428

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5587-0274 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 5587-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5587-0274?
Check Price and Availability of 5587-0274, 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 5587-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5587-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5587-0274
  • 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 5587-0274 available by request