G645-0458 Screening compound: N~4~-(3-allyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

G645-0458 Screening compound: N~4~-(3-allyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
G645-0458 Screening compound: N~4~-(3-allyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0458
N~4~-(3-allyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

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

G645-0458

Molecular Formula

C21H16ClN3O3S (C21 H16 ClN3 O3 S)

Compound Name

N~4~-(3-allyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

IUPAC name

n/a

SMILES

Cc1c(C(Nc(cc2)cc(S3)c2N(CC=C)C3=O)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H16ClN3O3S/c1-3-10-25-16-9-8-13(11-17(16)29-21(25)27)23-20(26)18-12(2)28-24-19(18)14-6-4-5-7-15(14)22/h3-9,11H,1,10H2,2H3,(H,23,26)

InChI Key

UJPDNMAUIKMKGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.698

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.92

Polar Surface Area

61.113

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G645-0458 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 G645-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0458?
Check Price and Availability of G645-0458, 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 G645-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0458
  • 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 G645-0458 available by request