8544-0660 Screening compound: methyl 4-chloro-2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-amido]benzoate

8544-0660 Screening compound: methyl 4-chloro-2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-amido]benzoate
8544-0660 Screening compound: methyl 4-chloro-2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8544-0660
methyl 4-chloro-2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-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

8544-0660

Molecular Formula

C25H18ClN5O4 (C25 H18 ClN5 O4)

Compound Name

methyl 4-chloro-2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-amido]benzoate

IUPAC name

methyl 4-chloro-2-[5-methyl-1-(3-phenyl-21-benzoxazol-5-yl)-1H-123-triazole-4-amido]benzoate

SMILES

Cc1c(C(Nc(cc(cc2)Cl)c2C(OC)=O)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C25H18ClN5O4/c1-14-22(24(32)27-21-12-16(26)8-10-18(21)25(33)34-2)28-30-31(14)17-9-11-20-19(13-17)23(35-29-20)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,27,32)

InChI Key

HZYMBRMFVQTNFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-5.08

Polar Surface Area

92.132

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

8544-0660 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8544-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8544-0660?
Check Price and Availability of 8544-0660, 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 8544-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8544-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8544-0660
  • 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 8544-0660 available by request