C779-1822 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide

C779-1822 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide
C779-1822 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1822
1-{4-[(4-chlorophenyl)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

C779-1822

Molecular Formula

C23H26ClN3O3S (C23 H26 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(C(CC1)CCN1C(c1cc(scc2)c2n1Cc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C23H26ClN3O3S/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

REBFAOSRRBJTMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460

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

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.91

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

C779-1822 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with C779-1822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1822?
Check Price and Availability of C779-1822, 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 C779-1822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1822
  • 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 C779-1822 available by request