F818-0837 Screening compound: ethyl 3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamido)benzoate

F818-0837 Screening compound: ethyl 3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamido)benzoate
F818-0837 Screening compound: ethyl 3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F818-0837
ethyl 3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamido)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

F818-0837

Molecular Formula

C18H18N2O5S2 (C18 H18 N2 O5 S2)

Compound Name

ethyl 3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamido)benzoate

IUPAC name

ethyl 3-(3-ethyl-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamido)benzoate

SMILES

CCN(c(ccc(S(Nc1cc(C(OCC)=O)ccc1)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C18H18N2O5S2/c1-3-20-15-9-8-14(11-16(15)26-18(20)22)27(23,24)19-13-7-5-6-12(10-13)17(21)25-4-2/h5-11,19H,3-4H2,1-2H3

InChI Key

ZRQAVZASFDQXIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.22

Polar Surface Area

77.211

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F818-0837 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F818-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F818-0837?
Check Price and Availability of F818-0837, 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 F818-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F818-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F818-0837
  • 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 F818-0837 available by request