G588-0315 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

G588-0315 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
G588-0315 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G588-0315
3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)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

G588-0315

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

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

IUPAC name

3-{4H5H6H7H8H9H-cycloocta[d][13]thiazol-2-yl}-1-(23-dihydro-14-benzodioxin-6-yl)urea

SMILES

O=C(Nc1nc(CCCCCC2)c2s1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H21N3O3S/c22-17(19-12-7-8-14-15(11-12)24-10-9-23-14)21-18-20-13-5-3-1-2-4-6-16(13)25-18/h7-8,11H,1-6,9-10H2,(H2,19,20,21,22)

InChI Key

CIMLTKQCXXZMOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.231

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.24

Polar Surface Area

60.163

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G588-0315 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G588-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G588-0315?
Check Price and Availability of G588-0315, 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 G588-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G588-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G588-0315
  • 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 G588-0315 available by request