G764-0554 Screening compound: ethyl 2-{1-[({5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxalin]-1-yl}carbonyl)amino]cyclohexyl}acetate

G764-0554 Screening compound: ethyl 2-{1-[({5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxalin]-1-yl}carbonyl)amino]cyclohexyl}acetate
G764-0554 Screening compound: ethyl 2-{1-[({5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxalin]-1-yl}carbonyl)amino]cyclohexyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G764-0554
ethyl 2-{1-[({5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxalin]-1-yl}carbonyl)amino]cyclohexyl}acetate

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

G764-0554

Molecular Formula

C29H40N4O3 (C29 H40 N4 O3)

Compound Name

ethyl 2-{1-[({5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxalin]-1-yl}carbonyl)amino]cyclohexyl}acetate

IUPAC name

ethyl 2-{1-[({5'-ethyl-7'-methyl-5'H-spiro[piperidine-44'-pyrrolo[12-a]quinoxalin]-1-yl}carbonyl)amino]cyclohexyl}acetate

SMILES

CCN(C1(CC2)CCN2C(NC2(CC(OCC)=O)CCCCC2)=O)c(cc(C)cc2)c2-n2c1ccc2

InChI

InChI=1S/C29H40N4O3/c1-4-33-24-20-22(3)11-12-23(24)32-17-9-10-25(32)29(33)15-18-31(19-16-29)27(35)30-28(13-7-6-8-14-28)21-26(34)36-5-2/h9-12,17,20H,4-8,13-16,18-19,21H2,1-3H3,(H,30,35)

InChI Key

LPCFHIHGQRFHIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15034107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.501

Water Solubility, LogSw

-5.15

Polar Surface Area

50.266

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.60

G764-0554 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G764-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G764-0554?
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What is the minimum amount of G764-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G764-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G764-0554
  • 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 G764-0554 available by request