4606-4515 Screening compound: 2-(4-fluorophenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)acetamide

4606-4515 Screening compound: 2-(4-fluorophenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)acetamide
4606-4515 Screening compound: 2-(4-fluorophenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-4515
2-(4-fluorophenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)acetamide

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

4606-4515

Molecular Formula

C16H13FN2O3S2 (C16 H13 FN2 O3 S2)

Compound Name

2-(4-fluorophenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-(4-fluorophenyl)-N-(6-methanesulfonyl-13-benzothiazol-2-yl)acetamide

SMILES

CS(c(cc1)cc2c1nc(NC(Cc(cc1)ccc1F)=O)s2)(=O)=O

InChI

InChI=1S/C16H13FN2O3S2/c1-24(21,22)12-6-7-13-14(9-12)23-16(18-13)19-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)

InChI Key

RGLIYZNUMYYPHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-3.06

Polar Surface Area

62.626

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4606-4515 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4606-4515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-4515?
Check Price and Availability of 4606-4515, 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 4606-4515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-4515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-4515
  • 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 4606-4515 available by request