C064-0030 Screening compound: ethyl 4-{2-[(1-{2-[(4-methoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

C064-0030 Screening compound: ethyl 4-{2-[(1-{2-[(4-methoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate
C064-0030 Screening compound: ethyl 4-{2-[(1-{2-[(4-methoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0030
ethyl 4-{2-[(1-{2-[(4-methoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

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

C064-0030

Molecular Formula

C29H29N3O5S (C29 H29 N3 O5 S)

Compound Name

ethyl 4-{2-[(1-{2-[(4-methoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(1-{2-[(4-methoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1cn(CCNC(c(cc2)ccc2OC)=O)c2c1cccc2)=O)=O

InChI

InChI=1S/C29H29N3O5S/c1-3-37-29(35)21-8-12-22(13-9-21)31-27(33)19-38-26-18-32(25-7-5-4-6-24(25)26)17-16-30-28(34)20-10-14-23(36-2)15-11-20/h4-15,18H,3,16-17,19H2,1-2H3,(H,30,34)(H,31,33)

InChI Key

YYMFIWXMRQJNBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-4.09

Polar Surface Area

77.651

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

C064-0030 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C064-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0030?
Check Price and Availability of C064-0030, 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 C064-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0030
  • 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 C064-0030 available by request