8544-0241 Screening compound: 3-(4-chlorophenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl}-2,1-benzoxazole-5-carboxamide

8544-0241 Screening compound: 3-(4-chlorophenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl}-2,1-benzoxazole-5-carboxamide
8544-0241 Screening compound: 3-(4-chlorophenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl}-2,1-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8544-0241
3-(4-chlorophenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl}-2,1-benzoxazole-5-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

8544-0241

Molecular Formula

C25H18ClN3O3S (C25 H18 ClN3 O3 S)

Compound Name

3-(4-chlorophenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl}-2,1-benzoxazole-5-carboxamide

IUPAC name

3-(4-chlorophenyl)-N-{5-[(4-methoxyphenyl)methyl]-13-thiazol-2-yl}-21-benzoxazole-5-carboxamide

SMILES

COc1ccc(Cc2cnc(NC(c3cc4c(-c(cc5)ccc5Cl)onc4cc3)=O)s2)cc1

InChI

InChI=1S/C25H18ClN3O3S/c1-31-19-9-2-15(3-10-19)12-20-14-27-25(33-20)28-24(30)17-6-11-22-21(13-17)23(32-29-22)16-4-7-18(26)8-5-16/h2-11,13-14H,12H2,1H3,(H,27,28,30)

InChI Key

ZLTBVQIJJQLWKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09760318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.899

Distribution Coefficient, logD

6.860

Water Solubility, LogSw

-6.49

Polar Surface Area

62.653

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

8544-0241 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8544-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8544-0241?
Check Price and Availability of 8544-0241, 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 8544-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8544-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8544-0241
  • 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 8544-0241 available by request