G897-0199 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4,5-triethoxybenzamide

G897-0199 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4,5-triethoxybenzamide
G897-0199 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G897-0199
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4,5-triethoxybenzamide

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

G897-0199

Molecular Formula

C26H25ClN2O4S (C26 H25 ClN2 O4 S)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4,5-triethoxybenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-2-chlorophenyl]-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(ccc(-c2nc(cccc3)c3s2)c2)c2Cl)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H25ClN2O4S/c1-4-31-21-14-17(15-22(32-5-2)24(21)33-6-3)25(30)28-19-12-11-16(13-18(19)27)26-29-20-9-7-8-10-23(20)34-26/h7-15H,4-6H2,1-3H3,(H,28,30)

InChI Key

MHWBYIPIEUXBRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.319

Distribution Coefficient, logD

6.319

Water Solubility, LogSw

-6.17

Polar Surface Area

53.798

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G897-0199 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G897-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G897-0199?
Check Price and Availability of G897-0199, 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 G897-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G897-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G897-0199
  • 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 G897-0199 available by request