C795-1170 Screening compound: 5-BENZYL-9-CHLORO-N4-CYCLOHEPTYL-6-OXO-5

C795-1170 Screening compound: 5-BENZYL-9-CHLORO-N4-CYCLOHEPTYL-6-OXO-5
C795-1170 Screening compound: 5-BENZYL-9-CHLORO-N4-CYCLOHEPTYL-6-OXO-5 alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1170
5-BENZYL-9-CHLORO-N4-CYCLOHEPTYL-6-OXO-5

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

C795-1170

Molecular Formula

C27H28ClN3O2 (C27 H28 ClN3 O2)

Compound Name

5-BENZYL-9-CHLORO-N4-CYCLOHEPTYL-6-OXO-5

IUPAC name

n/a

SMILES

O=C(C(c1cccn1-c1c2ccc(Cl)c1)N(Cc1ccccc1)C2=O)NC1CCCCCC1

InChI

InChI=1S/C27H28ClN3O2/c28-20-14-15-22-24(17-20)30-16-8-13-23(30)25(26(32)29-21-11-6-1-2-7-12-21)31(27(22)33)18-19-9-4-3-5-10-19/h3-5,8-10,13-17,21,25H,1-2,6-7,11-12,18H2,(H,29,32)/t25-/m0/s1

InChI Key

XFZAGBLGQARKPZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14797242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.683

Water Solubility, LogSw

-5.91

Polar Surface Area

42.348

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C795-1170 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-1170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1170?
Check Price and Availability of C795-1170, 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 C795-1170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1170
  • 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 C795-1170 available by request