G220-0040 Screening compound: N-cyclopentyl-5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)thiophene-2-carboxamide

G220-0040 Screening compound: N-cyclopentyl-5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)thiophene-2-carboxamide
G220-0040 Screening compound: N-cyclopentyl-5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G220-0040
N-cyclopentyl-5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)thiophene-2-carboxamide

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

G220-0040

Molecular Formula

C18H20N2OS2 (C18 H20 N2 OS2)

Compound Name

N-cyclopentyl-5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)thiophene-2-carboxamide

IUPAC name

N-cyclopentyl-5-(34-dihydro-2H-14-benzothiazin-4-yl)thiophene-2-carboxamide

SMILES

O=C(c1ccc(N2c(cccc3)c3SCC2)s1)NC1CCCC1

InChI

InChI=1S/C18H20N2OS2/c21-18(19-13-5-1-2-6-13)16-9-10-17(23-16)20-11-12-22-15-8-4-3-7-14(15)20/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,19,21)

InChI Key

KFVBBOOPHZLVAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14988384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.778

Water Solubility, LogSw

-4.63

Polar Surface Area

28.230

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G220-0040 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 G220-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G220-0040?
Check Price and Availability of G220-0040, 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 G220-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G220-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G220-0040
  • 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 G220-0040 available by request