F850-1974 Screening compound: 2-{6-chloro-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-cyclopentylacetamide

F850-1974 Screening compound: 2-{6-chloro-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-cyclopentylacetamide
F850-1974 Screening compound: 2-{6-chloro-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F850-1974
2-{6-chloro-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-cyclopentylacetamide

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

F850-1974

Molecular Formula

C22H24ClFN2O2 (C22 H24 ClFN2 O2)

Compound Name

2-{6-chloro-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-cyclopentylacetamide

IUPAC name

2-{6-chloro-4-[(4-fluorophenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-yl}-N-cyclopentylacetamide

SMILES

O=C(CC1N(Cc(cc2)ccc2F)c(cc(cc2)Cl)c2OC1)NC1CCCC1

InChI

InChI=1S/C22H24ClFN2O2/c23-16-7-10-21-20(11-16)26(13-15-5-8-17(24)9-6-15)19(14-28-21)12-22(27)25-18-3-1-2-4-18/h5-11,18-19H,1-4,12-14H2,(H,25,27)/t19-/m0/s1

InChI Key

RONHDDQYNFMGSH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27199893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.93

Polar Surface Area

35.008

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

F850-1974 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with F850-1974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F850-1974?
Check Price and Availability of F850-1974, 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 F850-1974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F850-1974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F850-1974
  • 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 F850-1974 available by request