C064-0486 Screening compound: ethyl 4-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

C064-0486 Screening compound: ethyl 4-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate
C064-0486 Screening compound: ethyl 4-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0486
ethyl 4-{2-[(1-{2-[(3,4-dimethoxyphenyl)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

C064-0486

Molecular Formula

C30H31N3O6S (C30 H31 N3 O6 S)

Compound Name

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

IUPAC name

ethyl 4-{2-[(1-{2-[(34-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1cn(CCNC(c(cc2)cc(OC)c2OC)=O)c2c1cccc2)=O)=O

InChI

InChI=1S/C30H31N3O6S/c1-4-39-30(36)20-9-12-22(13-10-20)32-28(34)19-40-27-18-33(24-8-6-5-7-23(24)27)16-15-31-29(35)21-11-14-25(37-2)26(17-21)38-3/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,31,35)(H,32,34)

InChI Key

ZCNXGLYUSKCMNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.66

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

4.316

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.08

Polar Surface Area

85.368

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C064-0486 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C064-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0486?
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What is the minimum amount of C064-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0486
  • 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 C064-0486 available by request