1497-1100 Screening compound: N,N-dimethyl-4-[(E)-[(2-methyl-1,3-benzothiazol-6-yl)imino]methyl]aniline

1497-1100 Screening compound: N,N-dimethyl-4-[(E)-[(2-methyl-1,3-benzothiazol-6-yl)imino]methyl]aniline
1497-1100 Screening compound: N,N-dimethyl-4-[(E)-[(2-methyl-1,3-benzothiazol-6-yl)imino]methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1497-1100
N,N-dimethyl-4-[(E)-[(2-methyl-1,3-benzothiazol-6-yl)imino]methyl]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

1497-1100

Molecular Formula

C17H17N3S (C17 H17 N3 S)

Compound Name

N,N-dimethyl-4-[(E)-[(2-methyl-1,3-benzothiazol-6-yl)imino]methyl]aniline

IUPAC name

NN-dimethyl-4-[(E)-[(2-methyl-13-benzothiazol-6-yl)imino]methyl]aniline

SMILES

Cc1nc(ccc(/N=C/c(cc2)ccc2N(C)C)c2)c2s1

InChI

InChI=1S/C17H17N3S/c1-12-19-16-9-6-14(10-17(16)21-12)18-11-13-4-7-15(8-5-13)20(2)3/h4-11H,1-3H3

InChI Key

XPQRFUXWLMGBLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-3.97

Polar Surface Area

20.697

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1497-1100 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1497-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1497-1100?
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What is the minimum amount of 1497-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1497-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1497-1100
  • 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 1497-1100 available by request