3391-6995 Screening compound: 2-(4-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

3391-6995 Screening compound: 2-(4-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
3391-6995 Screening compound: 2-(4-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6995
2-(4-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

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

3391-6995

Molecular Formula

C11H12FNO (C11 H12 FNO)

Compound Name

2-(4-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

IUPAC name

2-(4-fluorophenyl)-44-dimethyl-45-dihydro-13-oxazole

SMILES

CC1(C)N=C(c(cc2)ccc2F)OC1

InChI

InChI=1S/C11H12FNO/c1-11(2)7-14-10(13-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3

InChI Key

GUWPOJDUVLSBQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

193.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.394

Water Solubility, LogSw

-2.44

Polar Surface Area

18.114

Acid Dissociation Constant (pKa)

30.88

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

3391-6995 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3391-6995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6995?
Check Price and Availability of 3391-6995, 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 3391-6995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6995
  • 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 3391-6995 available by request