D107-0054 Screening compound: 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide

D107-0054 Screening compound: 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide
D107-0054 Screening compound: 2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-0054
2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide

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

D107-0054

Molecular Formula

C16H17FN2O3 (C16 H17 FN2 O3)

Compound Name

2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide

IUPAC name

2-(4-fluorophenoxy)-N-(4567-tetrahydro-21-benzoxazol-3-yl)propanamide

SMILES

CC(C(Nc1c(CCCC2)c2no1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C16H17FN2O3/c1-10(21-12-8-6-11(17)7-9-12)15(20)18-16-13-4-2-3-5-14(13)19-22-16/h6-10H,2-5H2,1H3,(H,18,20)/t10-/m0/s1

InChI Key

CAWSWHYDMPHTKG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD08545938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.052

Water Solubility, LogSw

-3.40

Polar Surface Area

53.628

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D107-0054 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 D107-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-0054?
Check Price and Availability of D107-0054, 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 D107-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-0054
  • 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 D107-0054 available by request