E676-0700 Screening compound: methyl 4-[(6-bromo-1,3-benzothiazol-2-yl)[2-(dimethylamino)ethyl]carbamoyl]benzoate

E676-0700 Screening compound: methyl 4-[(6-bromo-1,3-benzothiazol-2-yl)[2-(dimethylamino)ethyl]carbamoyl]benzoate
E676-0700 Screening compound: methyl 4-[(6-bromo-1,3-benzothiazol-2-yl)[2-(dimethylamino)ethyl]carbamoyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-0700
methyl 4-[(6-bromo-1,3-benzothiazol-2-yl)[2-(dimethylamino)ethyl]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

E676-0700

Molecular Formula

C20H20BrN3O3S (C20 H20 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H20BrN3O3S/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

RHUNOICGSIWPNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984789

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

462.37

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

4.658

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.42

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

E676-0700 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E676-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-0700?
Check Price and Availability of E676-0700, 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 E676-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-0700
  • 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 E676-0700 available by request