Y021-1449 Screening compound: N-(1,3-benzoxazol-2-yl)-N''-(2-methoxybenzoyl)guanidine

Y021-1449 Screening compound: N-(1,3-benzoxazol-2-yl)-N''-(2-methoxybenzoyl)guanidine
Y021-1449 Screening compound: N-(1,3-benzoxazol-2-yl)-N''-(2-methoxybenzoyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1449
N-(1,3-benzoxazol-2-yl)-N''-(2-methoxybenzoyl)guanidine

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

Y021-1449

Molecular Formula

C16H14N4O3 (C16 H14 N4 O3)

Compound Name

N-(1,3-benzoxazol-2-yl)-N''-(2-methoxybenzoyl)guanidine

IUPAC name

N-[(E)-amino[(13-benzoxazol-2-yl)amino]methylidene]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(/N=C(\N)/Nc1nc(cccc2)c2o1)=O

InChI

InChI=1S/C16H14N4O3/c1-22-12-8-4-2-6-10(12)14(21)19-15(17)20-16-18-11-7-3-5-9-13(11)23-16/h2-9H,1H3,(H3,17,18,19,20,21)

InChI Key

KVFQQUDPUDVEJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.282

Distribution Coefficient, logD

-0.464

Water Solubility, LogSw

-3.04

Polar Surface Area

78.392

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

Y021-1449 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y021-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1449?
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What is the minimum amount of Y021-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1449
  • 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 Y021-1449 available by request