E677-1031 Screening compound: 3-bromo-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

E677-1031 Screening compound: 3-bromo-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
E677-1031 Screening compound: 3-bromo-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-1031
3-bromo-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)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

E677-1031

Molecular Formula

C20H22BrN3O2S (C20 H22 BrN3 O2 S)

Compound Name

3-bromo-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

IUPAC name

3-bromo-N-[3-(dimethylamino)propyl]-N-(4-methoxy-13-benzothiazol-2-yl)benzamide

SMILES

CN(C)CCCN(C(c1cccc(Br)c1)=O)c1nc(c(OC)ccc2)c2s1

InChI

InChI=1S/C20H22BrN3O2S/c1-23(2)11-6-12-24(19(25)14-7-4-8-15(21)13-14)20-22-18-16(26-3)9-5-10-17(18)27-20/h4-5,7-10,13H,6,11-12H2,1-3H3

InChI Key

RENJJRFTGIICHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985717

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

448.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

2.367

Water Solubility, LogSw

-4.41

Polar Surface Area

37.641

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E677-1031 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E677-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-1031?
Check Price and Availability of E677-1031, 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 E677-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-1031
  • 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 E677-1031 available by request