C064-0445 Screening compound: ethyl 2-{2-[(1-{2-[(thiophen-2-yl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

C064-0445 Screening compound: ethyl 2-{2-[(1-{2-[(thiophen-2-yl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
C064-0445 Screening compound: ethyl 2-{2-[(1-{2-[(thiophen-2-yl)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 C064-0445
ethyl 2-{2-[(1-{2-[(thiophen-2-yl)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

C064-0445

Molecular Formula

C27H27N3O4S3 (C27 H27 N3 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(CSc2cn(CCNC(c3cccs3)=O)c3c2cccc3)=O)sc2c1CCC2)=O

InChI

InChI=1S/C27H27N3O4S3/c1-2-34-27(33)24-18-8-5-10-20(18)37-26(24)29-23(31)16-36-22-15-30(19-9-4-3-7-17(19)22)13-12-28-25(32)21-11-6-14-35-21/h3-4,6-7,9,11,14-15H,2,5,8,10,12-13,16H2,1H3,(H,28,32)(H,29,31)

InChI Key

OLWOLYNBLJXXFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.73

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

4.607

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-4.19

Polar Surface Area

71.206

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C064-0445 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C064-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0445?
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What is the minimum amount of C064-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0445
  • 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 C064-0445 available by request