C064-0399 Screening compound: 2,6-difluoro-N-[2-(3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide

C064-0399 Screening compound: 2,6-difluoro-N-[2-(3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide
C064-0399 Screening compound: 2,6-difluoro-N-[2-(3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0399
2,6-difluoro-N-[2-(3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide

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

C064-0399

Molecular Formula

C24H25F2N3O2S (C24 H25 F2 N3 O2 S)

Compound Name

2,6-difluoro-N-[2-(3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide

IUPAC name

26-difluoro-N-[2-(3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide

SMILES

O=C(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)N1CCCCC1

InChI

InChI=1S/C24H25F2N3O2S/c25-18-8-6-9-19(26)23(18)24(31)27-11-14-29-15-21(17-7-2-3-10-20(17)29)32-16-22(30)28-12-4-1-5-13-28/h2-3,6-10,15H,1,4-5,11-14,16H2,(H,27,31)

InChI Key

OKKOOZHKUCBDKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.54

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

3.521

Distribution Coefficient, logD

3.521

Water Solubility, LogSw

-3.82

Polar Surface Area

42.596

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C064-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0399?
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What is the minimum amount of C064-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0399
  • 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 C064-0399 available by request