2279-3822 Screening compound: 2-(4-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2279-3822 Screening compound: 2-(4-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
2279-3822 Screening compound: 2-(4-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-3822
2-(4-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]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

2279-3822

Molecular Formula

C26H26N2O2S (C26 H26 N2 O2 S)

Compound Name

2-(4-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

IUPAC name

2-(4-tert-butylphenoxy)-N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1OCC(Nc(cc1)ccc1-c1nc(ccc(C)c2)c2s1)=O

InChI

InChI=1S/C26H26N2O2S/c1-17-5-14-22-23(15-17)31-25(28-22)18-6-10-20(11-7-18)27-24(29)16-30-21-12-8-19(9-13-21)26(2,3)4/h5-15H,16H2,1-4H3,(H,27,29)

InChI Key

FDXUUAPCWHTSFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01472242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.262

Distribution Coefficient, logD

7.262

Water Solubility, LogSw

-5.54

Polar Surface Area

40.064

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

2279-3822 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2279-3822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-3822?
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What is the minimum amount of 2279-3822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-3822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-3822
  • 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 2279-3822 available by request