C064-0107 Screening compound: N-[2-(3-{[(2-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2-methoxybenzamide

C064-0107 Screening compound: N-[2-(3-{[(2-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2-methoxybenzamide
C064-0107 Screening compound: N-[2-(3-{[(2-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0107
N-[2-(3-{[(2-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2-methoxybenzamide

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

C064-0107

Molecular Formula

C25H23FN2O2S (C25 H23 FN2 O2 S)

Compound Name

N-[2-(3-{[(2-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2-methoxybenzamide

IUPAC name

N-[2-(3-{[(2-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(NCCn1c(cccc2)c2c(SCc(cccc2)c2F)c1)=O

InChI

InChI=1S/C25H23FN2O2S/c1-30-23-13-7-4-10-20(23)25(29)27-14-15-28-16-24(19-9-3-6-12-22(19)28)31-17-18-8-2-5-11-21(18)26/h2-13,16H,14-15,17H2,1H3,(H,27,29)

InChI Key

QWJHSKRFTADQSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.87

Polar Surface Area

33.834

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C064-0107 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C064-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0107?
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What is the minimum amount of C064-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0107
  • 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 C064-0107 available by request