E676-5526 Screening compound: methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate

E676-5526 Screening compound: methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate
E676-5526 Screening compound: methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-5526
methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate

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

E676-5526

Molecular Formula

C22H23F2N3O3S (C22 H23 F2 N3 O3 S)

Compound Name

methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate

IUPAC name

methyl 4-{[2-(diethylamino)ethyl](46-difluoro-13-benzothiazol-2-yl)carbamoyl}benzoate

SMILES

CCN(CC)CCN(C(c(cc1)ccc1C(OC)=O)=O)c1nc(c(F)cc(F)c2)c2s1

InChI

InChI=1S/C22H23F2N3O3S/c1-4-26(5-2)10-11-27(20(28)14-6-8-15(9-7-14)21(29)30-3)22-25-19-17(24)12-16(23)13-18(19)31-22/h6-9,12-13H,4-5,10-11H2,1-3H3

InChI Key

IYHBHMDVTOYBKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985466

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.512

Water Solubility, LogSw

-4.62

Polar Surface Area

50.730

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E676-5526 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with E676-5526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-5526?
Check Price and Availability of E676-5526, 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 E676-5526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-5526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-5526
  • 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 E676-5526 available by request