C648-0222 Screening compound: 4,5-dimethoxy-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}benzoic acid

C648-0222 Screening compound: 4,5-dimethoxy-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}benzoic acid
C648-0222 Screening compound: 4,5-dimethoxy-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0222
4,5-dimethoxy-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}benzoic acid

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

C648-0222

Molecular Formula

C23H25N3O9S (C23 H25 N3 O9 S)

Compound Name

4,5-dimethoxy-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}benzoic acid

IUPAC name

45-dimethoxy-2-{1-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}benzoic acid

SMILES

CN(c(ccc(S(N(CCC1)CC1C(Nc(cc(c(OC)c1)OC)c1C(O)=O)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C23H25N3O9S/c1-25-17-7-6-14(9-18(17)35-23(25)30)36(31,32)26-8-4-5-13(12-26)21(27)24-16-11-20(34-3)19(33-2)10-15(16)22(28)29/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,24,27)(H,28,29)/t13-/m0/s1

InChI Key

AAWMTSZVDHHHKS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14779199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.53

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.439

Distribution Coefficient, logD

-1.628

Water Solubility, LogSw

-2.52

Polar Surface Area

120.811

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C648-0222 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C648-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0222?
Check Price and Availability of C648-0222, 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 C648-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0222
  • 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 C648-0222 available by request