F601-0891 Screening compound: 2-oxo-3-(prop-2-en-1-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide

F601-0891 Screening compound: 2-oxo-3-(prop-2-en-1-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
F601-0891 Screening compound: 2-oxo-3-(prop-2-en-1-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F601-0891
2-oxo-3-(prop-2-en-1-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,3-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

F601-0891

Molecular Formula

C17H15N3O3 (C17 H15 N3 O3)

Compound Name

2-oxo-3-(prop-2-en-1-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide

IUPAC name

2-oxo-3-(prop-2-en-1-yl)-N-[(pyridin-3-yl)methyl]-23-dihydro-13-benzoxazole-5-carboxamide

SMILES

C=CCN(c(cc(cc1)C(NCc2cnccc2)=O)c1O1)C1=O

InChI

InChI=1S/C17H15N3O3/c1-2-8-20-14-9-13(5-6-15(14)23-17(20)22)16(21)19-11-12-4-3-7-18-10-12/h2-7,9-10H,1,8,11H2,(H,19,21)

InChI Key

YWYMHCCXGQLJOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-1.43

Polar Surface Area

57.248

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

F601-0891 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F601-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F601-0891?
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What is the minimum amount of F601-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F601-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F601-0891
  • 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 F601-0891 available by request