C064-0477 Screening compound: N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide

C064-0477 Screening compound: N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
C064-0477 Screening compound: N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0477
N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]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

C064-0477

Molecular Formula

C29H29N3O4S (C29 H29 N3 O4 S)

Compound Name

N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide

IUPAC name

N-[2-(3-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCCn1c(cccc2)c2c(SCC(N(CC2)c3c2cccc3)=O)c1)=O)c1)c1OC

InChI

InChI=1S/C29H29N3O4S/c1-35-25-12-11-21(17-26(25)36-2)29(34)30-14-16-31-18-27(22-8-4-6-10-24(22)31)37-19-28(33)32-15-13-20-7-3-5-9-23(20)32/h3-12,17-18H,13-16,19H2,1-2H3,(H,30,34)

InChI Key

PWVXQAIXMZOWDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-3.95

Polar Surface Area

56.888

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with C064-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0477?
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What is the minimum amount of C064-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0477
  • 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 C064-0477 available by request