D063-1064 Screening compound: 1'-ethyl-2-[(oxolan-2-yl)methyl]-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

Chemical Structure Depiction of ChemDiv screening compound D063-1064
1'-ethyl-2-[(oxolan-2-yl)methyl]-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D063-1064

Molecular Formula

C₂₅H₂₂N₂O₅ (C25 H22 N2 O5)

Compound Name

1'-ethyl-2-[(oxolan-2-yl)methyl]-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

IUPAC name

1'-ethyl-2-[(oxolan-2-yl)methyl]-1'2'39-tetrahydro-2H-spiro[chromeno[23-c]pyrrole-13'-indole]-2'39-trione

SMILES

CCN(C(C1(C2=C3Oc(cccc4)c4C2=O)N(CC2OCCC2)C3=O)=O)c2c1cccc2

InChI

InChI=1S/C25H22N2O5/c1-2-26-18-11-5-4-10-17(18)25(24(26)30)20-21(28)16-9-3-6-12-19(16)32-22(20)23(29)27(25)14-15-8-7-13-31-15/h3-6,9-12,15H,2,7-8,13-14H2,1H3

InChI Key

JRWYFCSVHUGWGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06632995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.49

Polar Surface Area

60.286

Acid Dissociation Constant (pK_a)

26.64

Base Dissociation Constant (pK_b)

-1.15

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

32.00

D063-1064 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Immune system
animal
Infections
Cancer
Musculoskeletal
Digestive system
Nervous system
Cardiovascular
Skin
Metabolic
Endocrine
Immune system
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Skin

Agro:

Agro

Targets:

Proteases
Others
Kinases

Mechanism of action:

Epigenetic
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Cyclic compounds

References: we are preparing a list of scientific research reports with D063-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D063-1064?
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What is the minimum amount of D063-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for D063-1064
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for D063-1064

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 D063-1064 available by request