E677-0065 Screening compound: methyl 4-{[3-(dimethylamino)propyl](6-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate

E677-0065 Screening compound: methyl 4-{[3-(dimethylamino)propyl](6-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate
E677-0065 Screening compound: methyl 4-{[3-(dimethylamino)propyl](6-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0065
methyl 4-{[3-(dimethylamino)propyl](6-methyl-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

E677-0065

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

methyl 4-{[3-(dimethylamino)propyl](6-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate

IUPAC name

methyl 4-{[3-(dimethylamino)propyl](6-methyl-13-benzothiazol-2-yl)carbamoyl}benzoate

SMILES

Cc(cc1)cc2c1nc(N(CCCN(C)C)C(c(cc1)ccc1C(OC)=O)=O)s2

InChI

InChI=1S/C22H25N3O3S/c1-15-6-11-18-19(14-15)29-22(23-18)25(13-5-12-24(2)3)20(26)16-7-9-17(10-8-16)21(27)28-4/h6-11,14H,5,12-13H2,1-4H3

InChI Key

OILNBQZWRTZFAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985508

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-4.26

Polar Surface Area

50.414

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with E677-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0065?
Check Price and Availability of E677-0065, 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 E677-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0065
  • 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 E677-0065 available by request