2219-0171 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[(4-methoxyphenyl)carbamoyl]amino}acetamide

2219-0171 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[(4-methoxyphenyl)carbamoyl]amino}acetamide
2219-0171 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[(4-methoxyphenyl)carbamoyl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0171
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[(4-methoxyphenyl)carbamoyl]amino}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

2219-0171

Molecular Formula

C26H26N6O5S (C26 H26 N6 O5 S)

Compound Name

2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[(4-methoxyphenyl)carbamoyl]amino}acetamide

IUPAC name

2-{[5-(34-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-{[(4-methoxyphenyl)carbamoyl]amino}acetamide

SMILES

COc(cc1)ccc1NC(NNC(CSc1nnc(-c(cc2)cc(OC)c2OC)n1-c1ccccc1)=O)=O

InChI

InChI=1S/C26H26N6O5S/c1-35-20-12-10-18(11-13-20)27-25(34)30-28-23(33)16-38-26-31-29-24(32(26)19-7-5-4-6-8-19)17-9-14-21(36-2)22(15-17)37-3/h4-15H,16H2,1-3H3,(H,28,33)(H2,27,30,34)

InChI Key

OPAPRLXGPKBOQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.61

Polar Surface Area

107.983

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2219-0171 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 2219-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0171?
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What is the minimum amount of 2219-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0171
  • 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 2219-0171 available by request