F689-0042 Screening compound: N-[6-(4-cyclohexylbenzenesulfonamido)-1,3-benzothiazol-2-yl]propanamide

F689-0042 Screening compound: N-[6-(4-cyclohexylbenzenesulfonamido)-1,3-benzothiazol-2-yl]propanamide
F689-0042 Screening compound: N-[6-(4-cyclohexylbenzenesulfonamido)-1,3-benzothiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F689-0042
N-[6-(4-cyclohexylbenzenesulfonamido)-1,3-benzothiazol-2-yl]propanamide

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

F689-0042

Molecular Formula

C22H25N3O3S2 (C22 H25 N3 O3 S2)

Compound Name

N-[6-(4-cyclohexylbenzenesulfonamido)-1,3-benzothiazol-2-yl]propanamide

IUPAC name

N-[6-(4-cyclohexylbenzenesulfonamido)-13-benzothiazol-2-yl]propanamide

SMILES

CCC(Nc1nc(ccc(NS(c2ccc(C3CCCCC3)cc2)(=O)=O)c2)c2s1)=O

InChI

InChI=1S/C22H25N3O3S2/c1-2-21(26)24-22-23-19-13-10-17(14-20(19)29-22)25-30(27,28)18-11-8-16(9-12-18)15-6-4-3-5-7-15/h8-15,25H,2-7H2,1H3,(H,23,24,26)

InChI Key

BFXHQIMGOGGBSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.865

Distribution Coefficient, logD

5.671

Water Solubility, LogSw

-5.33

Polar Surface Area

73.719

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F689-0042 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F689-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F689-0042?
Check Price and Availability of F689-0042, 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 F689-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F689-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F689-0042
  • 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 F689-0042 available by request