E677-2764 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide

E677-2764 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide
E677-2764 Screening compound: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-2764
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide

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

E677-2764

Molecular Formula

C21H23F2N3OS (C21 H23 F2 N3 OS)

Compound Name

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide

IUPAC name

N-(46-difluoro-13-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide

SMILES

CN(C)CCCN(C(CCc1ccccc1)=O)c1nc(c(F)cc(F)c2)c2s1

InChI

InChI=1S/C21H23F2N3OS/c1-25(2)11-6-12-26(19(27)10-9-15-7-4-3-5-8-15)21-24-20-17(23)13-16(22)14-18(20)28-21/h3-5,7-8,13-14H,6,9-12H2,1-2H3

InChI Key

NGSLWRZCEUUGJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11986004

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

403.5

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

4.771

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-4.61

Polar Surface Area

29.484

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E677-2764 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E677-2764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-2764?
Check Price and Availability of E677-2764, 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 E677-2764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-2764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-2764
  • 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 E677-2764 available by request