E677-0398 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide

E677-0398 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
E677-0398 Screening compound: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0398
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide

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

E677-0398

Molecular Formula

C20H22FN3O2S (C20 H22 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)CCCN(C(c1cc(OC)ccc1)=O)c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C20H22FN3O2S/c1-23(2)10-5-11-24(19(25)14-6-4-7-16(12-14)26-3)20-22-17-9-8-15(21)13-18(17)27-20/h4,6-9,12-13H,5,10-11H2,1-3H3

InChI Key

HKLBGGPUTFYILJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985543

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

387.48

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

3.886

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-4.03

Polar Surface Area

36.784

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E677-0398 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E677-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0398?
Check Price and Availability of E677-0398, 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 E677-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0398
  • 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 E677-0398 available by request