3855-0736 Screening compound: 4-{2-fluoro-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-4-nitrophenyl}morpholine

3855-0736 Screening compound: 4-{2-fluoro-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-4-nitrophenyl}morpholine
3855-0736 Screening compound: 4-{2-fluoro-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-4-nitrophenyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3855-0736
4-{2-fluoro-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-4-nitrophenyl}morpholine

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

3855-0736

Molecular Formula

C21H25FN4O5S (C21 H25 FN4 O5 S)

Compound Name

4-{2-fluoro-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-4-nitrophenyl}morpholine

IUPAC name

4-{2-fluoro-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-4-nitrophenyl}morpholine

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1c(cc(c(F)c1)N2CCOCC2)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C21H25FN4O5S/c1-16-2-4-17(5-3-16)32(29,30)25-8-6-23(7-9-25)20-15-19(24-10-12-31-13-11-24)18(22)14-21(20)26(27)28/h2-5,14-15H,6-13H2,1H3

InChI Key

SKCAFUVJEFWYHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02215347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.90

Polar Surface Area

79.049

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3855-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3855-0736?
Check Price and Availability of 3855-0736, 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 3855-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3855-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3855-0736
  • 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 3855-0736 available by request