C592-2838 Screening compound: ethyl 2-(2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate

C592-2838 Screening compound: ethyl 2-(2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate
C592-2838 Screening compound: ethyl 2-(2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2838
ethyl 2-(2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate

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

C592-2838

Molecular Formula

C22H27N5O3S (C22 H27 N5 O3 S)

Compound Name

ethyl 2-(2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate

IUPAC name

ethyl 2-(2-{[4-(23-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}acetamido)acetate

SMILES

CCOC(CNC(CSc1nnc(Cc2cccn2C)n1-c1c(C)c(C)ccc1)=O)=O

InChI

InChI=1S/C22H27N5O3S/c1-5-30-21(29)13-23-20(28)14-31-22-25-24-19(12-17-9-7-11-26(17)4)27(22)18-10-6-8-15(2)16(18)3/h6-11H,5,12-14H2,1-4H3,(H,23,28)

InChI Key

SGETVQFUFOYADM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05903077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.35

Polar Surface Area

73.187

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C592-2838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2838?
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What is the minimum amount of C592-2838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2838
  • 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 C592-2838 available by request