F953-1127 Screening compound: 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3,4-oxadiazole-2-carboxamide

F953-1127 Screening compound: 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3,4-oxadiazole-2-carboxamide
F953-1127 Screening compound: 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F953-1127
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3,4-oxadiazole-2-carboxamide

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

F953-1127

Molecular Formula

C26H27FN4O3 (C26 H27 FN4 O3)

Compound Name

5-(3,5-dimethyl-1-benzofuran-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3,4-oxadiazole-2-carboxamide

IUPAC name

5-(35-dimethyl-1-benzofuran-2-yl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-134-oxadiazole-2-carboxamide

SMILES

Cc1c(-c2nnc(C(NCC3CCN(Cc(cccc4)c4F)CC3)=O)o2)oc2c1cc(C)cc2

InChI

InChI=1S/C26H27FN4O3/c1-16-7-8-22-20(13-16)17(2)23(33-22)25-29-30-26(34-25)24(32)28-14-18-9-11-31(12-10-18)15-19-5-3-4-6-21(19)27/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,28,32)

InChI Key

BFYIIZLQUCXGKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-4.55

Polar Surface Area

67.426

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F953-1127 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with F953-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F953-1127?
Check Price and Availability of F953-1127, 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 F953-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F953-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F953-1127
  • 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 F953-1127 available by request