C064-0363 Screening compound: N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

C064-0363 Screening compound: N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
C064-0363 Screening compound: N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0363
N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

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

C064-0363

Molecular Formula

C27H23F2N3O2S (C27 H23 F2 N3 O2 S)

Compound Name

N-[2-(3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

IUPAC name

N-[2-(3-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-26-difluorobenzamide

SMILES

O=C(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)N(CC1)c2c1cccc2

InChI

InChI=1S/C27H23F2N3O2S/c28-20-8-5-9-21(29)26(20)27(34)30-13-15-31-16-24(19-7-2-4-11-23(19)31)35-17-25(33)32-14-12-18-6-1-3-10-22(18)32/h1-11,16H,12-15,17H2,(H,30,34)

InChI Key

XKMMNBAZAPOHKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.34

Polar Surface Area

41.627

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C064-0363 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C064-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0363?
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What is the minimum amount of C064-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0363
  • 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 C064-0363 available by request