G588-0143 Screening compound: 1-benzyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

G588-0143 Screening compound: 1-benzyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
G588-0143 Screening compound: 1-benzyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G588-0143
1-benzyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-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

G588-0143

Molecular Formula

C15H17N3OS (C15 H17 N3 OS)

Compound Name

1-benzyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

IUPAC name

1-benzyl-3-(4567-tetrahydro-13-benzothiazol-2-yl)urea

SMILES

O=C(NCc1ccccc1)Nc1nc(CCCC2)c2s1

InChI

InChI=1S/C15H17N3OS/c19-14(16-10-11-6-2-1-3-7-11)18-15-17-12-8-4-5-9-13(12)20-15/h1-3,6-7H,4-5,8-10H2,(H2,16,17,18,19)

InChI Key

ILJDBUSWAPCBNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.68

Polar Surface Area

45.331

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G588-0143 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G588-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G588-0143?
Check Price and Availability of G588-0143, 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 G588-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G588-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G588-0143
  • 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 G588-0143 available by request