C064-0501 Screening compound: ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C064-0501 Screening compound: ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C064-0501 Screening compound: ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0501
ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-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

C064-0501

Molecular Formula

C32H35N3O6S2 (C32 H35 N3 O6 S2)

Compound Name

ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(1-{2-[(34-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2cn(CCNC(c(cc3)cc(OC)c3OC)=O)c3c2cccc3)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C32H35N3O6S2/c1-4-41-32(38)29-22-10-6-8-12-26(22)43-31(29)34-28(36)19-42-27-18-35(23-11-7-5-9-21(23)27)16-15-33-30(37)20-13-14-24(39-2)25(17-20)40-3/h5,7,9,11,13-14,17-18H,4,6,8,10,12,15-16,19H2,1-3H3,(H,33,37)(H,34,36)

InChI Key

XDCUVRFDHJLEOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

621.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-4.68

Polar Surface Area

85.083

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.40

C064-0501 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 C064-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0501?
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What is the minimum amount of C064-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0501
  • 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 C064-0501 available by request