F897-0860 Screening compound: 6-chloro-4-(2-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

F897-0860 Screening compound: 6-chloro-4-(2-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
F897-0860 Screening compound: 6-chloro-4-(2-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-0860
6-chloro-4-(2-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

F897-0860

Molecular Formula

C21H26ClN5O5S (C21 H26 ClN5 O5 S)

Compound Name

6-chloro-4-(2-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-chloro-4-(2-{4-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCn1nc(C)c(S(N(CC2)CCN2C(CN2c(cc(cc3)Cl)c3OCC2=O)=O)(=O)=O)c1C

InChI

InChI=1S/C21H26ClN5O5S/c1-4-27-15(3)21(14(2)23-27)33(30,31)25-9-7-24(8-10-25)19(28)12-26-17-11-16(22)5-6-18(17)32-13-20(26)29/h5-6,11H,4,7-10,12-13H2,1-3H3

InChI Key

NWYFJCMMGRCKLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27202944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.99

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.383

Distribution Coefficient, logD

0.383

Water Solubility, LogSw

-2.64

Polar Surface Area

86.258

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

F897-0860 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F897-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-0860?
Check Price and Availability of F897-0860, 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 F897-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-0860
  • 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 F897-0860 available by request