D167-0182 Screening compound: (1R,3R,6R,7R,9S)-N~9~-(3-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide

D167-0182 Screening compound: (1R,3R,6R,7R,9S)-N~9~-(3-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide
D167-0182 Screening compound: (1R,3R,6R,7R,9S)-N~9~-(3-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D167-0182
(1R,3R,6R,7R,9S)-N~9~-(3-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-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

D167-0182

Molecular Formula

C26H26FN3O4 (C26 H26 FN3 O4)

Compound Name

(1R,3R,6R,7R,9S)-N~9~-(3-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide

IUPAC name

(1R3R6R7R9S)-N-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-5-oxo-4-oxatricyclo[4.2.1.0^{37}]nonane-9-carboxamide

SMILES

O=C([C@H]([C@@H](C[C@@H]12)C[C@@H]2O2)[C@H]1C2=O)Nc1cccc(C(N(CC2)CCN2c(cccc2)c2F)=O)c1

InChI

InChI=1S/C26H26FN3O4/c27-19-6-1-2-7-20(19)29-8-10-30(11-9-29)25(32)15-4-3-5-17(12-15)28-24(31)22-16-13-18-21(14-16)34-26(33)23(18)22/h1-7,12,16,18,21-23H,8-11,13-14H2,(H,28,31)/t16-,18-,21-,22+,23-/m0/s1

InChI Key

XRHZLDPHMSTEPM-IJGBCQEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.50

Polar Surface Area

65.377

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

42.31

D167-0182 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D167-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D167-0182?
Check Price and Availability of D167-0182, 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 D167-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D167-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D167-0182
  • 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 D167-0182 available by request