E676-2453 Screening compound: 5-bromo-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide

E676-2453 Screening compound: 5-bromo-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
E676-2453 Screening compound: 5-bromo-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-2453
5-bromo-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide

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

E676-2453

Molecular Formula

C18H20BrN3O2S2 (C18 H20 BrN3 O2 S2)

Compound Name

5-bromo-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide

IUPAC name

5-bromo-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-13-benzothiazol-2-yl)thiophene-2-carboxamide

SMILES

Cc(c1c2nc(N(CCN(C)C)C(c(s3)ccc3Br)=O)s1)ccc2OC

InChI

InChI=1S/C18H20BrN3O2S2/c1-11-5-6-12(24-4)15-16(11)26-18(20-15)22(10-9-21(2)3)17(23)13-7-8-14(19)25-13/h5-8H,9-10H2,1-4H3

InChI Key

XLLKKGJOCYWXMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985107

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

454.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-5.01

Polar Surface Area

38.660

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with E676-2453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-2453?
Check Price and Availability of E676-2453, 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 E676-2453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-2453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-2453
  • 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 E676-2453 available by request