C592-3966 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

C592-3966 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
C592-3966 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3966
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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

C592-3966

Molecular Formula

C21H25N5O2S (C21 H25 N5 O2 S)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

Cn1c(Cc(n2CCOC)nnc2SCC(N(CC2)c3c2cccc3)=O)ccc1

InChI

InChI=1S/C21H25N5O2S/c1-24-10-5-7-17(24)14-19-22-23-21(26(19)12-13-28-2)29-15-20(27)25-11-9-16-6-3-4-8-18(16)25/h3-8,10H,9,11-15H2,1-2H3

InChI Key

SLRIMJOGCPILJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04474266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.550

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.47

Polar Surface Area

51.859

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C592-3966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3966?
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What is the minimum amount of C592-3966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3966
  • 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 C592-3966 available by request