C064-0487 Screening compound: N-{2-[3-({[(2,3-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide

C064-0487 Screening compound: N-{2-[3-({[(2,3-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide
C064-0487 Screening compound: N-{2-[3-({[(2,3-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0487
N-{2-[3-({[(2,3-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide

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

C064-0487

Molecular Formula

C29H31N3O4S (C29 H31 N3 O4 S)

Compound Name

N-{2-[3-({[(2,3-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide

IUPAC name

N-{2-[3-({[(23-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-34-dimethoxybenzamide

SMILES

Cc1cccc(NC(CSc2cn(CCNC(c(cc3)cc(OC)c3OC)=O)c3c2cccc3)=O)c1C

InChI

InChI=1S/C29H31N3O4S/c1-19-8-7-10-23(20(19)2)31-28(33)18-37-27-17-32(24-11-6-5-9-22(24)27)15-14-30-29(34)21-12-13-25(35-3)26(16-21)36-4/h5-13,16-17H,14-15,18H2,1-4H3,(H,30,34)(H,31,33)

InChI Key

LHSKYVKJECPMSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.16

Polar Surface Area

63.916

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with C064-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0487?
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What is the minimum amount of C064-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0487
  • 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 C064-0487 available by request