G599-0095 Screening compound: ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0095 Screening compound: ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0095 Screening compound: ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0095
ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

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

G599-0095

Molecular Formula

C25H21ClN2O4S (C25 H21 ClN2 O4 S)

Compound Name

ethyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

ethyl 9-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylate

SMILES

CCOC(c(cc1)cc(N2CC(Nc3cccc(Cl)c3C)=O)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C25H21ClN2O4S/c1-3-32-25(31)16-11-12-22-20(13-16)28(24(30)17-7-4-5-10-21(17)33-22)14-23(29)27-19-9-6-8-18(26)15(19)2/h4-13H,3,14H2,1-2H3,(H,27,29)

InChI Key

ONEWRSYENGCMOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.042

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-5.84

Polar Surface Area

58.606

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with G599-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0095?
Check Price and Availability of G599-0095, 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 G599-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0095
  • 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 G599-0095 available by request