G588-0285 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(4-methoxyphenyl)urea

G588-0285 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(4-methoxyphenyl)urea
G588-0285 Screening compound: 3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(4-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G588-0285
3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}-1-(4-methoxyphenyl)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

G588-0285

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(Nc1nc(CCCCCC2)c2s1)=O

InChI

InChI=1S/C17H21N3O2S/c1-22-13-10-8-12(9-11-13)18-16(21)20-17-19-14-6-4-2-3-5-7-15(14)23-17/h8-11H,2-7H2,1H3,(H2,18,19,20,21)

InChI Key

PCKISCPZMXPKQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.241

Distribution Coefficient, logD

5.231

Water Solubility, LogSw

-4.91

Polar Surface Area

51.884

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G588-0285 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G588-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G588-0285?
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What is the minimum amount of G588-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G588-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G588-0285
  • 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 G588-0285 available by request