C540-0108 Screening compound: N-(5-ACETAMIDO-2-METHOXYPHENYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE

C540-0108 Screening compound: N-(5-ACETAMIDO-2-METHOXYPHENYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE
C540-0108 Screening compound: N-(5-ACETAMIDO-2-METHOXYPHENYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0108
N-(5-ACETAMIDO-2-METHOXYPHENYL)-3-METHYL-6-PHENYLIMIDAZO[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

C540-0108

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

N-(5-ACETAMIDO-2-METHOXYPHENYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(Nc(cc1)cc(NC(c(s2)c(C)n3c2nc(-c2ccccc2)c3)=O)c1OC)=O

InChI

InChI=1S/C22H20N4O3S/c1-13-20(30-22-25-18(12-26(13)22)15-7-5-4-6-8-15)21(28)24-17-11-16(23-14(2)27)9-10-19(17)29-3/h4-12H,1-3H3,(H,23,27)(H,24,28)

InChI Key

LCXDBFHLWFXDEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.73

Polar Surface Area

62.728

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C540-0108 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C540-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0108?
Check Price and Availability of C540-0108, 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 C540-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0108
  • 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 C540-0108 available by request