C779-1240 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

C779-1240 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
C779-1240 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1240
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

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

C779-1240

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-1-{4-ethyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

SMILES

CCn(c(C(N(CC1)CCC1C(NC(C)c(cc1)cc2c1OCCO2)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C25H29N3O4S/c1-3-28-19-8-13-33-23(19)15-20(28)25(30)27-9-6-17(7-10-27)24(29)26-16(2)18-4-5-21-22(14-18)32-12-11-31-21/h4-5,8,13-17H,3,6-7,9-12H2,1-2H3,(H,26,29)/t16-/m0/s1

InChI Key

OGJFYCPQMVZAJR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28119290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.676

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-2.98

Polar Surface Area

57.755

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C779-1240 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C779-1240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1240?
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What is the minimum amount of C779-1240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1240
  • 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 C779-1240 available by request