E676-0446 Screening compound: methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate

E676-0446 Screening compound: methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate
E676-0446 Screening compound: methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-0446
methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate

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

E676-0446

Molecular Formula

C20H20FN3O3S (C20 H20 FN3 O3 S)

Compound Name

methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate

IUPAC name

methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-13-benzothiazol-2-yl)carbamoyl}benzoate

SMILES

CN(C)CCN(C(c(cc1)ccc1C(OC)=O)=O)c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C20H20FN3O3S/c1-23(2)10-11-24(20-22-16-9-8-15(21)12-17(16)28-20)18(25)13-4-6-14(7-5-13)19(26)27-3/h4-9,12H,10-11H2,1-3H3

InChI Key

CWJUXIIRGVKHPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984728

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.13

Polar Surface Area

50.414

Acid Dissociation Constant (pKa)

22.93

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E676-0446 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E676-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-0446?
Check Price and Availability of E676-0446, 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 E676-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-0446
  • 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 E676-0446 available by request