0591-5432 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(pentyloxy)benzamide

0591-5432 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(pentyloxy)benzamide
0591-5432 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(pentyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5432
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(pentyloxy)benzamide

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

0591-5432

Molecular Formula

C26H26N2O2S (C26 H26 N2 O2 S)

Compound Name

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(pentyloxy)benzamide

IUPAC name

N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-4-(pentyloxy)benzamide

SMILES

CCCCCOc(cc1)ccc1C(Nc(cc1)ccc1-c1nc(ccc(C)c2)c2s1)=O

InChI

InChI=1S/C26H26N2O2S/c1-3-4-5-16-30-22-13-9-19(10-14-22)25(29)27-21-11-7-20(8-12-21)26-28-23-15-6-18(2)17-24(23)31-26/h6-15,17H,3-5,16H2,1-2H3,(H,27,29)

InChI Key

PODJMARNHOUDBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00984972

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

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.416

Distribution Coefficient, logD

7.416

Water Solubility, LogSw

-5.38

Polar Surface Area

40.196

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 0591-5432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5432?
Check Price and Availability of 0591-5432, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0591-5432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5432
  • 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 0591-5432 available by request