5587-0188 Screening compound: 2-{2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indol]-1'-yl}acetamide

5587-0188 Screening compound: 2-{2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indol]-1'-yl}acetamide
5587-0188 Screening compound: 2-{2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indol]-1'-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5587-0188
2-{2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indol]-1'-yl}acetamide

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

5587-0188

Molecular Formula

C21H20N4O4 (C21 H20 N4 O4)

Compound Name

2-{2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indol]-1'-yl}acetamide

IUPAC name

2-{2-amino-3-cyano-77-dimethyl-2'5-dioxo-1'2'5678-hexahydrospiro[chromene-43'-indol]-1'-yl}acetamide

SMILES

CC(C)(C1)CC(OC(N)=C(C2(c(cccc3)c3N3CC(N)=O)C3=O)C#N)=C2C1=O

InChI

InChI=1S/C21H20N4O4/c1-20(2)7-14(26)17-15(8-20)29-18(24)12(9-22)21(17)11-5-3-4-6-13(11)25(19(21)28)10-16(23)27/h3-6H,7-8,10,24H2,1-2H3,(H2,23,27)/t21-/m1/s1

InChI Key

MQZYNFMFBWBUFA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD08736042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.572

Distribution Coefficient, logD

0.572

Water Solubility, LogSw

-2.27

Polar Surface Area

108.730

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5587-0188 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 5587-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5587-0188?
Check Price and Availability of 5587-0188, 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 5587-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5587-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5587-0188
  • 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 5587-0188 available by request