C779-1686 Screening compound: 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-4-(4-methylpiperidine-1-carbonyl)piperidine

C779-1686 Screening compound: 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-4-(4-methylpiperidine-1-carbonyl)piperidine
C779-1686 Screening compound: 1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-4-(4-methylpiperidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1686
1-{4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-4-(4-methylpiperidine-1-carbonyl)piperidine

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

C779-1686

Molecular Formula

C26H30FN3O2S (C26 H30 FN3 O2 S)

Compound Name

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

IUPAC name

1-{4-[(4-fluorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carbonyl}-4-(4-methylpiperidine-1-carbonyl)piperidine

SMILES

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

InChI

InChI=1S/C26H30FN3O2S/c1-18-6-11-28(12-7-18)25(31)20-8-13-29(14-9-20)26(32)23-16-24-22(10-15-33-24)30(23)17-19-2-4-21(27)5-3-19/h2-5,10,15-16,18,20H,6-9,11-14,17H2,1H3

InChI Key

HKLSXFHYEYDNKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.489

Water Solubility, LogSw

-4.26

Polar Surface Area

35.007

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C779-1686 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C779-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1686?
Check Price and Availability of C779-1686, 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 C779-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1686
  • 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 C779-1686 available by request