D400-7549 Screening compound: 1-(4-fluorophenyl)-4-{4-methoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}piperazine

D400-7549 Screening compound: 1-(4-fluorophenyl)-4-{4-methoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}piperazine
D400-7549 Screening compound: 1-(4-fluorophenyl)-4-{4-methoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-7549
1-(4-fluorophenyl)-4-{4-methoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}piperazine

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

D400-7549

Molecular Formula

C22H25FN4O4S (C22 H25 FN4 O4 S)

Compound Name

1-(4-fluorophenyl)-4-{4-methoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}piperazine

IUPAC name

1-(4-fluorophenyl)-4-{4-methoxy-3-[3-(propan-2-yl)-124-oxadiazol-5-yl]benzenesulfonyl}piperazine

SMILES

CC(C)c1noc(-c(cc(cc2)S(N(CC3)CCN3c(cc3)ccc3F)(=O)=O)c2OC)n1

InChI

InChI=1S/C22H25FN4O4S/c1-15(2)21-24-22(31-25-21)19-14-18(8-9-20(19)30-3)32(28,29)27-12-10-26(11-13-27)17-6-4-16(23)5-7-17/h4-9,14-15H,10-13H2,1-3H3

InChI Key

DJINNGNZMAEFNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.31

Polar Surface Area

74.517

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D400-7549 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D400-7549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-7549?
Check Price and Availability of D400-7549, 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 D400-7549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-7549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-7549
  • 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 D400-7549 available by request