E677-0457 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

E677-0457 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
E677-0457 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0457
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

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

E677-0457

Molecular Formula

C26H26FN3OS (C26 H26 FN3 OS)

Compound Name

N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide

IUPAC name

N-[3-(dimethylamino)propyl]-N-(6-fluoro-13-benzothiazol-2-yl)-22-diphenylacetamide

SMILES

CN(C)CCCN(C(C(c1ccccc1)c1ccccc1)=O)c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C26H26FN3OS/c1-29(2)16-9-17-30(26-28-22-15-14-21(27)18-23(22)32-26)25(31)24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-15,18,24H,9,16-17H2,1-2H3

InChI Key

KAFKEXDCFKDXMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09972658

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.578

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-5.34

Polar Surface Area

28.969

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

E677-0457 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E677-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0457?
Check Price and Availability of E677-0457, 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 E677-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0457
  • 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 E677-0457 available by request