D063-0841 Screening compound: 6,7-dimethyl-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 D063-0841
6,7-dimethyl-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

D063-0841

Molecular Formula

C₂₈H₂₆N₂O₅ (C28 H26 N2 O5)

Compound Name

6,7-dimethyl-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

67-dimethyl-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

Cc(c(C)c1)cc2c1OC(C(N(CC1OCCC1)C1(c(cccc3)c3N3CC=C)C3=O)=O)=C1C2=O

InChI

InChI=1S/C28H26N2O5/c1-4-11-29-21-10-6-5-9-20(21)28(27(29)33)23-24(31)19-13-16(2)17(3)14-22(19)35-25(23)26(32)30(28)15-18-8-7-12-34-18/h4-6,9-10,13-14,18H,1,7-8,11-12,15H2,2-3H3

InChI Key

JDTSZDWMUITLAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

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

4.039

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.24

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

32.10

D063-0841 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)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 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

Targets:

Proteases
Others

Mechanism of action:

Epigenetic
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Cyclic compounds

References: we are preparing a list of scientific research reports with D063-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D063-0841?
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What is the minimum amount of D063-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for D063-0841
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for D063-0841

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 D063-0841 available by request