5868-0405 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

5868-0405 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
5868-0405 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-1,3-benzothiazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5868-0405
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

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

5868-0405

Molecular Formula

C22H19BrN2OS (C22 H19 BrN2 OS)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6-methyl-13-benzothiazol-2-yl)aniline

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NCc(cc(cc1)Br)c1OC)s2

InChI

InChI=1S/C22H19BrN2OS/c1-14-3-9-19-21(11-14)27-22(25-19)15-4-7-18(8-5-15)24-13-16-12-17(23)6-10-20(16)26-2/h3-12,24H,13H2,1-2H3

InChI Key

QDKWTBCVBBSEBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03549696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.605

Distribution Coefficient, logD

6.605

Water Solubility, LogSw

-5.79

Polar Surface Area

27.552

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 5868-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5868-0405?
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What is the minimum amount of 5868-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5868-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5868-0405
  • 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 5868-0405 available by request