G206-2991 Screening compound: 2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-[2-(2-thienyl)ethyl]acetamide

G206-2991 Screening compound: 2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-[2-(2-thienyl)ethyl]acetamide
G206-2991 Screening compound: 2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-[2-(2-thienyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-2991
2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-[2-(2-thienyl)ethyl]acetamide

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

G206-2991

Molecular Formula

C18H17FN2O4S2 (C18 H17 FN2 O4 S2)

Compound Name

2-[5-(4-fluorophenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]-N~1~-[2-(2-thienyl)ethyl]acetamide

IUPAC name

2-[5-(4-fluorophenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide

SMILES

CC(C(N1CC(NCCc2cccs2)=O)=O)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C18H17FN2O4S2/c1-12-17(13-4-6-14(19)7-5-13)27(24,25)21(18(12)23)11-16(22)20-9-8-15-3-2-10-26-15/h2-7,10H,8-9,11H2,1H3,(H,20,22)

InChI Key

ZNBVIBJZGWXMSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.47

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

1.916

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-2.67

Polar Surface Area

70.515

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G206-2991 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G206-2991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-2991?
Check Price and Availability of G206-2991, 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 G206-2991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-2991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-2991
  • 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 G206-2991 available by request