4552-3303 Screening compound: 2-(2-fluorophenyl)-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile

4552-3303 Screening compound: 2-(2-fluorophenyl)-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
4552-3303 Screening compound: 2-(2-fluorophenyl)-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-3303
2-(2-fluorophenyl)-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile

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

4552-3303

Molecular Formula

C17H19FN4O2 (C17 H19 FN4 O2)

Compound Name

2-(2-fluorophenyl)-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile

IUPAC name

2-(2-fluorophenyl)-5-{[3-(morpholin-4-yl)propyl]amino}-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(NCCCN2CCOCC2)oc(-c(cccc2)c2F)n1

InChI

InChI=1S/C17H19FN4O2/c18-14-5-2-1-4-13(14)16-21-15(12-19)17(24-16)20-6-3-7-22-8-10-23-11-9-22/h1-2,4-5,20H,3,6-11H2

InChI Key

AWMLYEKVUQVTLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03041069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

1.500

Water Solubility, LogSw

-2.29

Polar Surface Area

58.010

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

4552-3303 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4552-3303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-3303?
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What is the minimum amount of 4552-3303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-3303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-3303
  • 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 4552-3303 available by request