C540-0078 Screening compound: methyl 2-{3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-amido}benzoate

C540-0078 Screening compound: methyl 2-{3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-amido}benzoate
C540-0078 Screening compound: methyl 2-{3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0078
methyl 2-{3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-amido}benzoate

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

C540-0078

Molecular Formula

C21H17N3O3S (C21 H17 N3 O3 S)

Compound Name

methyl 2-{3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-amido}benzoate

IUPAC name

methyl 2-{3-methyl-6-phenylimidazo[21-b][13]thiazole-2-amido}benzoate

SMILES

Cc1c(C(Nc(cccc2)c2C(OC)=O)=O)sc2nc(-c3ccccc3)cn12

InChI

InChI=1S/C21H17N3O3S/c1-13-18(19(25)22-16-11-7-6-10-15(16)20(26)27-2)28-21-23-17(12-24(13)21)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,22,25)

InChI Key

FPCDLRUQOJZZSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.32

Polar Surface Area

53.009

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C540-0078 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C540-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0078?
Check Price and Availability of C540-0078, 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 C540-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0078
  • 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 C540-0078 available by request