F259-0057 Screening compound: N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}benzamide

F259-0057 Screening compound: N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}benzamide
F259-0057 Screening compound: N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F259-0057
N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}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

F259-0057

Molecular Formula

C24H26N4O3S (C24 H26 N4 O3 S)

Compound Name

N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}benzamide

IUPAC name

N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-13-benzothiazol-2-yl}benzamide

SMILES

O=C(CCC(N1CCCCCC1)=O)Nc(cc1)cc2c1nc(NC(c1ccccc1)=O)s2

InChI

InChI=1S/C24H26N4O3S/c29-21(12-13-22(30)28-14-6-1-2-7-15-28)25-18-10-11-19-20(16-18)32-24(26-19)27-23(31)17-8-4-3-5-9-17/h3-5,8-11,16H,1-2,6-7,12-15H2,(H,25,29)(H,26,27,31)

InChI Key

OXKWMWSMXYWZSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14946417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-4.01

Polar Surface Area

72.692

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F259-0057 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F259-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F259-0057?
Check Price and Availability of F259-0057, 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 F259-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F259-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F259-0057
  • 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 F259-0057 available by request