C064-0217 Screening compound: ethyl 2-{2-[(1-{2-[(2-fluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

C064-0217 Screening compound: ethyl 2-{2-[(1-{2-[(2-fluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
C064-0217 Screening compound: ethyl 2-{2-[(1-{2-[(2-fluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0217
ethyl 2-{2-[(1-{2-[(2-fluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

C064-0217

Molecular Formula

C29H28FN3O4S2 (C29 H28 FN3 O4 S2)

Compound Name

ethyl 2-{2-[(1-{2-[(2-fluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(1-{2-[(2-fluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2cn(CCNC(c(cccc3)c3F)=O)c3c2cccc3)=O)sc2c1CCC2)=O

InChI

InChI=1S/C29H28FN3O4S2/c1-2-37-29(36)26-20-10-7-13-23(20)39-28(26)32-25(34)17-38-24-16-33(22-12-6-4-9-19(22)24)15-14-31-27(35)18-8-3-5-11-21(18)30/h3-6,8-9,11-12,16H,2,7,10,13-15,17H2,1H3,(H,31,35)(H,32,34)

InChI Key

DTIKRJFBNRIILP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.053

Distribution Coefficient, logD

2.850

Water Solubility, LogSw

-4.71

Polar Surface Area

70.188

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C064-0217 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C064-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0217?
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What is the minimum amount of C064-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0217
  • 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 C064-0217 available by request