D063-1013 Screening compound: 2-[(oxolan-2-yl)methyl]-1'-(prop-2-en-1-yl)-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 D063-1013
2-[(oxolan-2-yl)methyl]-1'-(prop-2-en-1-yl)-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D063-1013

Molecular Formula

C₂₆H₂₂N₂O₅ (C26 H22 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H22N2O5/c1-2-13-27-19-11-5-4-10-18(19)26(25(27)31)21-22(29)17-9-3-6-12-20(17)33-23(21)24(30)28(26)15-16-8-7-14-32-16/h2-6,9-12,16H,1,7-8,13-15H2

InChI Key

QCZAAXOJSXQNJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.72

Polar Surface Area

60.540

Acid Dissociation Constant (pK_a)

26.64

Base Dissociation Constant (pK_b)

-1.92

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

26.90

D063-1013 in Drug Discovery

Included in Screening Libraries

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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

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

Targets:

Proteases
Others
Kinases

Mechanism of action:

Epigenetic
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Cyclic compounds

Agro:

Agro

References: we are preparing a list of scientific research reports with D063-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D063-1013?
Check Price and Availability of D063-1013, 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 D063-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for D063-1013
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for D063-1013

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 D063-1013 available by request