G660-0580 Screening compound: N-[(4-chlorophenyl)methyl]-2-[6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

G660-0580 Screening compound: N-[(4-chlorophenyl)methyl]-2-[6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
G660-0580 Screening compound: N-[(4-chlorophenyl)methyl]-2-[6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G660-0580
N-[(4-chlorophenyl)methyl]-2-[6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]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

G660-0580

Molecular Formula

C21H24ClN3O3S2 (C21 H24 ClN3 O3 S2)

Compound Name

N-[(4-chlorophenyl)methyl]-2-[6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-[6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

O=C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2SCC1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C21H24ClN3O3S2/c22-17-5-3-16(4-6-17)14-23-21(26)15-24-11-12-29-20-8-7-18(13-19(20)24)30(27,28)25-9-1-2-10-25/h3-8,13H,1-2,9-12,14-15H2,(H,23,26)

InChI Key

PYBOJXFQHXYWKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.02

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

3.785

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.31

Polar Surface Area

59.350

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G660-0580 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G660-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G660-0580?
Check Price and Availability of G660-0580, 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 G660-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G660-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G660-0580
  • 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 G660-0580 available by request