G856-1449 Screening compound: N~1~-(7-methyl[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(piperidinosulfonyl)benzamide

G856-1449 Screening compound: N~1~-(7-methyl[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(piperidinosulfonyl)benzamide
G856-1449 Screening compound: N~1~-(7-methyl[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(piperidinosulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1449
N~1~-(7-methyl[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(piperidinosulfonyl)benzamide

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

G856-1449

Molecular Formula

C21H20N4O3S3 (C21 H20 N4 O3 S3)

Compound Name

N~1~-(7-methyl[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(piperidinosulfonyl)benzamide

IUPAC name

N-{11-methyl-312-dithia-510-diazatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)4710-pentaen-4-yl}-4-(piperidine-1-sulfonyl)benzamide

SMILES

Cc1nc(ccc2c3sc(NC(c(cc4)ccc4S(N4CCCCC4)(=O)=O)=O)n2)c3s1

InChI

InChI=1S/C21H20N4O3S3/c1-13-22-16-9-10-17-19(18(16)29-13)30-21(23-17)24-20(26)14-5-7-15(8-6-14)31(27,28)25-11-3-2-4-12-25/h5-10H,2-4,11-12H2,1H3,(H,23,24,26)

InChI Key

CBRGTCDWRITVOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-4.41

Polar Surface Area

74.329

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G856-1449 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 G856-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1449?
Check Price and Availability of G856-1449, 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 G856-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1449
  • 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 G856-1449 available by request