C779-1281 Screening compound: 1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-3,5-dimethylpiperidine

C779-1281 Screening compound: 1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-3,5-dimethylpiperidine
C779-1281 Screening compound: 1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-3,5-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1281
1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-3,5-dimethylpiperidine

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

C779-1281

Molecular Formula

C22H31N3O2S (C22 H31 N3 O2 S)

Compound Name

1-(1-{4-ethyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-3,5-dimethylpiperidine

IUPAC name

1-(1-{4-ethyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperidine-4-carbonyl)-35-dimethylpiperidine

SMILES

CCn(c(C(N(CC1)CCC1C(N1CC(C)CC(C)C1)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C22H31N3O2S/c1-4-25-18-7-10-28-20(18)12-19(25)22(27)23-8-5-17(6-9-23)21(26)24-13-15(2)11-16(3)14-24/h7,10,12,15-17H,4-6,8-9,11,13-14H2,1-3H3

InChI Key

CFBNFXPHMKSVSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-3.79

Polar Surface Area

34.871

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.60

C779-1281 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C779-1281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1281?
Check Price and Availability of C779-1281, 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 C779-1281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1281
  • 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 C779-1281 available by request