G645-0512 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide

G645-0512 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide
G645-0512 Screening compound: N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0512
N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)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

G645-0512

Molecular Formula

C18H13F3N2O2S (C18 H13 F3 N2 O2 S)

Compound Name

N-[2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide

IUPAC name

N-[2-oxo-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide

SMILES

C=CCN(c(ccc(NC(c1c(C(F)(F)F)cccc1)=O)c1)c1S1)C1=O

InChI

InChI=1S/C18H13F3N2O2S/c1-2-9-23-14-8-7-11(10-15(14)26-17(23)25)22-16(24)12-5-3-4-6-13(12)18(19,20)21/h2-8,10H,1,9H2,(H,22,24)

InChI Key

JIPDUUFBLCSKAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.239

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-4.41

Polar Surface Area

39.152

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G645-0512 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G645-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0512?
Check Price and Availability of G645-0512, 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 G645-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0512
  • 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 G645-0512 available by request