C064-0382 Screening compound: 2,6-difluoro-N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0382 Screening compound: 2,6-difluoro-N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0382 Screening compound: 2,6-difluoro-N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0382
2,6-difluoro-N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}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

C064-0382

Molecular Formula

C22H18F2N4O2S2 (C22 H18 F2 N4 O2 S2)

Compound Name

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

IUPAC name

26-difluoro-N-{2-[3-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

SMILES

O=C(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)Nc1nccs1

InChI

InChI=1S/C22H18F2N4O2S2/c23-15-5-3-6-16(24)20(15)21(30)25-8-10-28-12-18(14-4-1-2-7-17(14)28)32-13-19(29)27-22-26-9-11-31-22/h1-7,9,11-12H,8,10,13H2,(H,25,30)(H,26,27,29)

InChI Key

MZAMXVCGKGFFBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.77

Polar Surface Area

59.832

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C064-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0382?
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What is the minimum amount of C064-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0382
  • 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 C064-0382 available by request