C677-0155 Screening compound: ethyl 4-(2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate

C677-0155 Screening compound: ethyl 4-(2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate
C677-0155 Screening compound: ethyl 4-(2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0155
ethyl 4-(2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate

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

C677-0155

Molecular Formula

C24H30N6O4S (C24 H30 N6 O4 S)

Compound Name

ethyl 4-(2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CSc1nnc(Cc2cccn2C)n1-c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C24H30N6O4S/c1-4-34-24(32)29-14-12-28(13-15-29)22(31)17-35-23-26-25-21(16-19-6-5-11-27(19)2)30(23)18-7-9-20(33-3)10-8-18/h5-11H,4,12-17H2,1-3H3

InChI Key

CIHCKRLQKFLFCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-2.73

Polar Surface Area

75.303

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C677-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0155?
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What is the minimum amount of C677-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0155
  • 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 C677-0155 available by request