C064-0214 Screening compound: 2-fluoro-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0214 Screening compound: 2-fluoro-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0214 Screening compound: 2-fluoro-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0214
2-fluoro-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-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

C064-0214

Molecular Formula

C22H20FN5O2S2 (C22 H20 FN5 O2 S2)

Compound Name

2-fluoro-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

IUPAC name

2-fluoro-N-{2-[3-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

SMILES

Cc1nnc(NC(CSc2cn(CCNC(c(cccc3)c3F)=O)c3c2cccc3)=O)s1

InChI

InChI=1S/C22H20FN5O2S2/c1-14-26-27-22(32-14)25-20(29)13-31-19-12-28(18-9-5-3-7-16(18)19)11-10-24-21(30)15-6-2-4-8-17(15)23/h2-9,12H,10-11,13H2,1H3,(H,24,30)(H,25,27,29)

InChI Key

CONUNPAHIPDXFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.39

Polar Surface Area

72.704

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C064-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0214?
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What is the minimum amount of C064-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0214
  • 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 C064-0214 available by request