C700-2159 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

C700-2159 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide
C700-2159 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2159
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

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

C700-2159

Molecular Formula

C26H27FN2O3S (C26 H27 FN2 O3 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

SMILES

CCOc(ccc(CCNC(Cn(c(-c1cccs1)c1)c(cc2)c1cc2F)=O)c1)c1OCC

InChI

InChI=1S/C26H27FN2O3S/c1-3-31-23-10-7-18(14-24(23)32-4-2)11-12-28-26(30)17-29-21-9-8-20(27)15-19(21)16-22(29)25-6-5-13-33-25/h5-10,13-16H,3-4,11-12,17H2,1-2H3,(H,28,30)

InChI Key

FLGKESKKKRKUFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.52

Polar Surface Area

40.173

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C700-2159 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C700-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2159?
Check Price and Availability of C700-2159, 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 C700-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2159
  • 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 C700-2159 available by request