C677-0049 Screening compound: 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

C677-0049 Screening compound: 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
C677-0049 Screening compound: 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0049
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

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

C677-0049

Molecular Formula

C24H24N6O3S (C24 H24 N6 O3 S)

Compound Name

2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

IUPAC name

2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-124-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

SMILES

Cn1c(Cc(n2CCc3ccccc3)nnc2SCC(Nc(cc2)ccc2[N+]([O-])=O)=O)ccc1

InChI

InChI=1S/C24H24N6O3S/c1-28-14-5-8-21(28)16-22-26-27-24(29(22)15-13-18-6-3-2-4-7-18)34-17-23(31)25-19-9-11-20(12-10-19)30(32)33/h2-12,14H,13,15-17H2,1H3,(H,25,31)

InChI Key

YVRDRCZXJCEFNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.21

Polar Surface Area

84.352

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C677-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0049?
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What is the minimum amount of C677-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0049
  • 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 C677-0049 available by request