8018-1522 Screening compound: 2-(3-iodo-1H-1,2,4-triazol-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide

8018-1522 Screening compound: 2-(3-iodo-1H-1,2,4-triazol-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide
8018-1522 Screening compound: 2-(3-iodo-1H-1,2,4-triazol-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1522
2-(3-iodo-1H-1,2,4-triazol-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)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

8018-1522

Molecular Formula

C13H15IN4O4 (C13 H15 IN4 O4)

Compound Name

2-(3-iodo-1H-1,2,4-triazol-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-(3-iodo-1H-124-triazol-1-yl)-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(Cn(cn2)nc2I)=O)cc(OC)c1OC

InChI

InChI=1S/C13H15IN4O4/c1-20-9-4-8(5-10(21-2)12(9)22-3)16-11(19)6-18-7-15-13(14)17-18/h4-5,7H,6H2,1-3H3,(H,16,19)

InChI Key

XGAIMOVAVQKTSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.550

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-2.32

Polar Surface Area

69.388

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

8018-1522 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-1522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1522?
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What is the minimum amount of 8018-1522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1522
  • 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 8018-1522 available by request