D050-0064 Screening compound: 1-{[(1,2-benzoxazol-3-yl)carbamoyl]methyl}pyridin-1-ium

D050-0064 Screening compound: 1-{[(1,2-benzoxazol-3-yl)carbamoyl]methyl}pyridin-1-ium
D050-0064 Screening compound: 1-{[(1,2-benzoxazol-3-yl)carbamoyl]methyl}pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0064
1-{[(1,2-benzoxazol-3-yl)carbamoyl]methyl}pyridin-1-ium

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

D050-0064

Molecular Formula

C14H12N3O2 (C14 H12 N3 O2)

Compound Name

1-{[(1,2-benzoxazol-3-yl)carbamoyl]methyl}pyridin-1-ium

IUPAC name

1-{[(12-benzoxazol-3-yl)carbamoyl]methyl}pyridin-1-ium

SMILES

O=C(C[n+]1ccccc1)Nc1noc2c1cccc2

InChI

InChI=1S/C14H11N3O2/c18-13(10-17-8-4-1-5-9-17)15-14-11-6-2-3-7-12(11)19-16-14/h1-9H,10H2/p+1

InChI Key

RPYGOUZLXXGRSB-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD08548702

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

254.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.078

Distribution Coefficient, logD

2.074

Water Solubility, LogSw

-2.83

Polar Surface Area

48.249

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D050-0064 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with D050-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0064?
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What is the minimum amount of D050-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0064
  • 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 D050-0064 available by request