C779-1749 Screening compound: 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide

C779-1749 Screening compound: 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide
C779-1749 Screening compound: 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1749
1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)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

C779-1749

Molecular Formula

C23H26FN3O3S (C23 H26 FN3 O3 S)

Compound Name

1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide

IUPAC name

1-{4-[(4-fluorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide

SMILES

COCCNC(C(CC1)CCN1C(c1cc(scc2)c2n1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C23H26FN3O3S/c1-30-12-9-25-22(28)17-6-10-26(11-7-17)23(29)20-14-21-19(8-13-31-21)27(20)15-16-2-4-18(24)5-3-16/h2-5,8,13-14,17H,6-7,9-12,15H2,1H3,(H,25,28)

InChI Key

HIVALFUGFKQWBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.21

Polar Surface Area

51.228

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C779-1749 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C779-1749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1749?
Check Price and Availability of C779-1749, 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 C779-1749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1749
  • 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 C779-1749 available by request