E677-1271 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide

E677-1271 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
E677-1271 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-1271
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide

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

E677-1271

Molecular Formula

C14H18FN3OS (C14 H18 FN3 OS)

Compound Name

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide

IUPAC name

N-[3-(dimethylamino)propyl]-N-(4-fluoro-13-benzothiazol-2-yl)acetamide

SMILES

CC(N(CCCN(C)C)c1nc(c(F)ccc2)c2s1)=O

InChI

InChI=1S/C14H18FN3OS/c1-10(19)18(9-5-8-17(2)3)14-16-13-11(15)6-4-7-12(13)20-14/h4,6-7H,5,8-9H2,1-3H3

InChI Key

QDBJDRZPCMSFGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14030614

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.361

Distribution Coefficient, logD

0.155

Water Solubility, LogSw

-2.56

Polar Surface Area

30.750

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E677-1271 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E677-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-1271?
Check Price and Availability of E677-1271, 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 E677-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-1271
  • 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 E677-1271 available by request