C540-0145 Screening compound: N-(butan-2-yl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C540-0145 Screening compound: N-(butan-2-yl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
C540-0145 Screening compound: N-(butan-2-yl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0145
N-(butan-2-yl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

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

C540-0145

Molecular Formula

C17H18FN3OS (C17 H18 FN3 OS)

Compound Name

N-(butan-2-yl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

IUPAC name

N-(butan-2-yl)-6-(4-fluorophenyl)-3-methylimidazo[21-b][13]thiazole-2-carboxamide

SMILES

CCC(C)NC(c(s1)c(C)n2c1nc(-c(cc1)ccc1F)c2)=O

InChI

InChI=1S/C17H18FN3OS/c1-4-10(2)19-16(22)15-11(3)21-9-14(20-17(21)23-15)12-5-7-13(18)8-6-12/h5-10H,4H2,1-3H3,(H,19,22)/t10-/m0/s1

InChI Key

SSOHIGUJYPUQSI-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04468987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.66

Polar Surface Area

33.568

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

C540-0145 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C540-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0145?
Check Price and Availability of C540-0145, 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 C540-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0145
  • 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 C540-0145 available by request