E676-2752 Screening compound: 4-tert-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

E676-2752 Screening compound: 4-tert-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
E676-2752 Screening compound: 4-tert-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-2752
4-tert-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]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

E676-2752

Molecular Formula

C22H25F2N3OS (C22 H25 F2 N3 OS)

Compound Name

4-tert-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

IUPAC name

4-tert-butyl-N-(46-difluoro-13-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(N(CCN(C)C)c1nc(c(F)cc(F)c2)c2s1)=O

InChI

InChI=1S/C22H25F2N3OS/c1-22(2,3)15-8-6-14(7-9-15)20(28)27(11-10-26(4)5)21-25-19-17(24)12-16(23)13-18(19)29-21/h6-9,12-13H,10-11H2,1-5H3

InChI Key

USMGWPGYDFNFCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985160

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

417.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.814

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.45

Polar Surface Area

30.011

Acid Dissociation Constant (pKa)

22.93

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E676-2752 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E676-2752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-2752?
Check Price and Availability of E676-2752, 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 E676-2752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-2752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-2752
  • 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 E676-2752 available by request