C064-0066 Screening compound: 2-methoxy-N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0066 Screening compound: 2-methoxy-N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0066 Screening compound: 2-methoxy-N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0066
2-methoxy-N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

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

C064-0066

Molecular Formula

C26H23F3N2O2S (C26 H23 F3 N2 O2 S)

Compound Name

2-methoxy-N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

IUPAC name

2-methoxy-N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

SMILES

COc(cccc1)c1C(NCCn1c(cccc2)c2c(SCc2cc(C(F)(F)F)ccc2)c1)=O

InChI

InChI=1S/C26H23F3N2O2S/c1-33-23-12-5-3-10-21(23)25(32)30-13-14-31-16-24(20-9-2-4-11-22(20)31)34-17-18-7-6-8-19(15-18)26(27,28)29/h2-12,15-16H,13-14,17H2,1H3,(H,30,32)

InChI Key

IWZXSQNXUDKQKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.572

Distribution Coefficient, logD

5.572

Water Solubility, LogSw

-5.67

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

19.20

C064-0066 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C064-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0066?
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What is the minimum amount of C064-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0066
  • 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 C064-0066 available by request