8014-4483 Screening compound: 2-({4-amino-5-[4-(tert-butyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-(2,3-dimethylphenyl)acetamide

8014-4483 Screening compound: 2-({4-amino-5-[4-(tert-butyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-(2,3-dimethylphenyl)acetamide
8014-4483 Screening compound: 2-({4-amino-5-[4-(tert-butyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-4483
2-({4-amino-5-[4-(tert-butyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-(2,3-dimethylphenyl)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

8014-4483

Molecular Formula

C22H27N5OS (C22 H27 N5 OS)

Compound Name

2-({4-amino-5-[4-(tert-butyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-(2,3-dimethylphenyl)acetamide

IUPAC name

2-{[4-amino-5-(4-tert-butylphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(23-dimethylphenyl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1-c(n1N)nnc1SCC(Nc1c(C)c(C)ccc1)=O

InChI

InChI=1S/C22H27N5OS/c1-14-7-6-8-18(15(14)2)24-19(28)13-29-21-26-25-20(27(21)23)16-9-11-17(12-10-16)22(3,4)5/h6-12H,13,23H2,1-5H3,(H,24,28)

InChI Key

HSDFMFIAMIOYCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04426582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-4.60

Polar Surface Area

64.591

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with 8014-4483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-4483?
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What is the minimum amount of 8014-4483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-4483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-4483
  • 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 8014-4483 available by request