C064-0504 Screening compound: ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

C064-0504 Screening compound: ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
C064-0504 Screening compound: ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0504
ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[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

C064-0504

Molecular Formula

C33H37N3O6S2 (C33 H37 N3 O6 S2)

Compound Name

ethyl 2-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(1-{2-[(34-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2cn(CCNC(c(cc3)cc(OC)c3OC)=O)c3c2cccc3)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C33H37N3O6S2/c1-4-42-33(39)30-23-11-6-5-7-13-27(23)44-32(30)35-29(37)20-43-28-19-36(24-12-9-8-10-22(24)28)17-16-34-31(38)21-14-15-25(40-2)26(18-21)41-3/h8-10,12,14-15,18-19H,4-7,11,13,16-17,20H2,1-3H3,(H,34,38)(H,35,37)

InChI Key

YNJMLOJVYYDXQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.81

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

5.303

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-5.38

Polar Surface Area

85.414

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C064-0504 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C064-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0504?
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What is the minimum amount of C064-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0504
  • 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 C064-0504 available by request