D063-0978 Screening compound: 7-fluoro-1'-methyl-2-[3-(propan-2-yloxy)propyl]-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

D063-0978 Screening compound: 7-fluoro-1'-methyl-2-[3-(propan-2-yloxy)propyl]-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
D063-0978 Screening compound: 7-fluoro-1'-methyl-2-[3-(propan-2-yloxy)propyl]-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D063-0978
7-fluoro-1'-methyl-2-[3-(propan-2-yloxy)propyl]-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D063-0978

Molecular Formula

C25H23FN2O5 (C25 H23 FN2 O5)

Compound Name

7-fluoro-1'-methyl-2-[3-(propan-2-yloxy)propyl]-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

IUPAC name

7-fluoro-1'-methyl-2-[3-(propan-2-yloxy)propyl]-1'2'39-tetrahydro-2H-spiro[chromeno[23-c]pyrrole-13'-indole]-2'39-trione

SMILES

CC(C)OCCCN(C(c(cccc1)c1N1C)(C2=C3Oc(ccc(F)c4)c4C2=O)C1=O)C3=O

InChI

InChI=1S/C25H23FN2O5/c1-14(2)32-12-6-11-28-23(30)22-20(21(29)16-13-15(26)9-10-19(16)33-22)25(28)17-7-4-5-8-18(17)27(3)24(25)31/h4-5,7-10,13-14H,6,11-12H2,1-3H3/t25-/m0/s1

InChI Key

BATCIDXTNWGQFT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06646864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-3.63

Polar Surface Area

59.124

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D063-0978 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Cysteine Proteases Inhibitors Library (7839 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D063-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D063-0978?
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What is the minimum amount of D063-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D063-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D063-0978
  • 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 D063-0978 available by request