L366-0404 Screening compound: ethyl 3-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]carbamoyl}amino)propanoate

L366-0404 Screening compound: ethyl 3-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]carbamoyl}amino)propanoate
L366-0404 Screening compound: ethyl 3-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]carbamoyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L366-0404
ethyl 3-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]carbamoyl}amino)propanoate

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

L366-0404

Molecular Formula

C21H24N4O5S2 (C21 H24 N4 O5 S2)

Compound Name

ethyl 3-({[4-methyl-2-(4-methylbenzenesulfonamido)-1,3-benzothiazol-6-yl]carbamoyl}amino)propanoate

IUPAC name

ethyl 3-({[4-methyl-2-(4-methylbenzenesulfonamido)-13-benzothiazol-6-yl]carbamoyl}amino)propanoate

SMILES

CCOC(CCNC(Nc(cc1C)cc2c1nc(NS(c1ccc(C)cc1)(=O)=O)s2)=O)=O

InChI

InChI=1S/C21H24N4O5S2/c1-4-30-18(26)9-10-22-20(27)23-15-11-14(3)19-17(12-15)31-21(24-19)25-32(28,29)16-7-5-13(2)6-8-16/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25)(H2,22,23,27)

InChI Key

IMZVFSAFUKULLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.89

Polar Surface Area

105.317

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L366-0404 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L366-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L366-0404?
Check Price and Availability of L366-0404, 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 L366-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L366-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L366-0404
  • 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 L366-0404 available by request