G588-0297 Screening compound: 1-(4-bromophenyl)-3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}urea
Chemical Structure Depiction of ChemDiv screening compound G588-0297
1-(4-bromophenyl)-3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-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
G588-0297
Molecular Formula
C16H18BrN3OS (C16 H18 BrN3 OS)
Compound Name
1-(4-bromophenyl)-3-{4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-yl}urea
IUPAC name
1-(4-bromophenyl)-3-{4H5H6H7H8H9H-cycloocta[d][13]thiazol-2-yl}urea
SMILES
O=C(Nc1nc(CCCCCC2)c2s1)Nc(cc1)ccc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
380.31
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
6.093
Distribution Coefficient, logD
6.082
Water Solubility, LogSw
-5.67
Polar Surface Area
44.340
Acid Dissociation Constant (pKa)
9.04
Base Dissociation Constant (pKb)
4.36
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.50
G588-0297 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
3D-Diversity Natural-Product-Like Library (18102 compounds)
Anti-infective Library (19449 compounds)
Anticancer Library (62698 compounds)
Protein Arginine Methyltransferases Library (27925 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
- 3D
- 3D
- Infections
- Immune system
- animal
- Cancer
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with G588-0297 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)