G588-0329 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)urea

G588-0329 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)urea
G588-0329 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G588-0329
3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)urea

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

G588-0329

Molecular Formula

C16H17F2N3OS (C16 H17 F2 N3 OS)

Compound Name

3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)urea

IUPAC name

3-{4H5H6H7H8H9H-cycloocta[d][13]thiazol-2-yl}-1-(24-difluorophenyl)urea

SMILES

O=C(Nc1nc(CCCCCC2)c2s1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C16H17F2N3OS/c17-10-7-8-12(11(18)9-10)19-15(22)21-16-20-13-5-3-1-2-4-6-14(13)23-16/h7-9H,1-6H2,(H2,19,20,21,22)

InChI Key

FMHWPZSXWLJDAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.103

Water Solubility, LogSw

-5.24

Polar Surface Area

43.642

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G588-0329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G588-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G588-0329?
Check Price and Availability of G588-0329, 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 G588-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G588-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G588-0329
  • 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 G588-0329 available by request