S735-0079 Screening compound: N-[(4-FLUOROPHENYL)METHYL]-4-OXO-1-[(PYRIDIN-4-YL)METHYL]-15-DIAZACYCLOUNDECANE-6-CARBOXAMIDE

S735-0079 Screening compound: N-[(4-FLUOROPHENYL)METHYL]-4-OXO-1-[(PYRIDIN-4-YL)METHYL]-15-DIAZACYCLOUNDECANE-6-CARBOXAMIDE
S735-0079 Screening compound: N-[(4-FLUOROPHENYL)METHYL]-4-OXO-1-[(PYRIDIN-4-YL)METHYL]-15-DIAZACYCLOUNDECANE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S735-0079
N-[(4-FLUOROPHENYL)METHYL]-4-OXO-1-[(PYRIDIN-4-YL)METHYL]-15-DIAZACYCLOUNDECANE-6-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

S735-0079

Molecular Formula

C23H29FN4O2 (C23 H29 FN4 O2)

Compound Name

N-[(4-FLUOROPHENYL)METHYL]-4-OXO-1-[(PYRIDIN-4-YL)METHYL]-15-DIAZACYCLOUNDECANE-6-CARBOXAMIDE

IUPAC name

N-[(4-fluorophenyl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-15-diazacycloundecane-6-carboxamide

SMILES

O=C(C(CCCCCN(Cc1ccncc1)CC1)NC1=O)NCc(cc1)ccc1F

InChI

InChI=1S/C23H29FN4O2/c24-20-7-5-18(6-8-20)16-26-23(30)21-4-2-1-3-14-28(15-11-22(29)27-21)17-19-9-12-25-13-10-19/h5-10,12-13,21H,1-4,11,14-17H2,(H,26,30)(H,27,29)/t21-/m0/s1

InChI Key

JRLGFOAFWLJLON-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30461102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-2.03

Polar Surface Area

63.598

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

S735-0079 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S735-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S735-0079?
Check Price and Availability of S735-0079, 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 S735-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S735-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S735-0079
  • 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 S735-0079 available by request