G645-0226 Screening compound: 5-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)furan-2-carboxamide

G645-0226 Screening compound: 5-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)furan-2-carboxamide
G645-0226 Screening compound: 5-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0226
5-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)furan-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

G645-0226

Molecular Formula

C15H13BrN2O3S (C15 H13 BrN2 O3 S)

Compound Name

5-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)furan-2-carboxamide

IUPAC name

5-bromo-N-(2-oxo-3-propyl-23-dihydro-13-benzothiazol-6-yl)furan-2-carboxamide

SMILES

CCCN(c(ccc(NC(c(o1)ccc1Br)=O)c1)c1S1)C1=O

InChI

InChI=1S/C15H13BrN2O3S/c1-2-7-18-10-4-3-9(8-12(10)22-15(18)20)17-14(19)11-5-6-13(16)21-11/h3-6,8H,2,7H2,1H3,(H,17,19)

InChI Key

TWGKJPBDJAJTRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.16

Polar Surface Area

48.078

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G645-0226 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G645-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0226?
Check Price and Availability of G645-0226, 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 G645-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0226
  • 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 G645-0226 available by request