F690-0665 Screening compound: ethyl 3-{[(4-methoxy-2-propanamido-1,3-benzothiazol-6-yl)carbamoyl]amino}propanoate

F690-0665 Screening compound: ethyl 3-{[(4-methoxy-2-propanamido-1,3-benzothiazol-6-yl)carbamoyl]amino}propanoate
F690-0665 Screening compound: ethyl 3-{[(4-methoxy-2-propanamido-1,3-benzothiazol-6-yl)carbamoyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F690-0665
ethyl 3-{[(4-methoxy-2-propanamido-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

F690-0665

Molecular Formula

C17H22N4O5S (C17 H22 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc1nc(c(OC)cc(NC(NCCC(OCC)=O)=O)c2)c2s1)=O

InChI

InChI=1S/C17H22N4O5S/c1-4-13(22)20-17-21-15-11(25-3)8-10(9-12(15)27-17)19-16(24)18-7-6-14(23)26-5-2/h8-9H,4-7H2,1-3H3,(H2,18,19,24)(H,20,21,22)

InChI Key

WNAWMCOLYZBKDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.85

Polar Surface Area

95.447

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

F690-0665 in Drug Discovery

Included in Screening Libraries

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 F690-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F690-0665?
Check Price and Availability of F690-0665, 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 F690-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F690-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F690-0665
  • 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 F690-0665 available by request