D400-3181 Screening compound: 1-(2-fluorophenyl)-4-(2-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy}benzoyl)piperazine

D400-3181 Screening compound: 1-(2-fluorophenyl)-4-(2-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy}benzoyl)piperazine
D400-3181 Screening compound: 1-(2-fluorophenyl)-4-(2-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy}benzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-3181
1-(2-fluorophenyl)-4-(2-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy}benzoyl)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

D400-3181

Molecular Formula

C27H25FN4O3 (C27 H25 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1noc(COc(cccc2)c2C(N(CC2)CCN2c(cccc2)c2F)=O)n1

InChI

InChI=1S/C27H25FN4O3/c1-19-10-12-20(13-11-19)26-29-25(35-30-26)18-34-24-9-5-2-6-21(24)27(33)32-16-14-31(15-17-32)23-8-4-3-7-22(23)28/h2-13H,14-18H2,1H3

InChI Key

UYXBZOSECQVTGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

5.274

Water Solubility, LogSw

-5.18

Polar Surface Area

58.503

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with D400-3181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-3181?
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What is the minimum amount of D400-3181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-3181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-3181
  • 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 D400-3181 available by request