C700-2291 Screening compound: 2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(3-methylbutyl)-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide

C700-2291 Screening compound: 2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(3-methylbutyl)-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
C700-2291 Screening compound: 2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(3-methylbutyl)-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2291
2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(3-methylbutyl)-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-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

C700-2291

Molecular Formula

C25H31ClN2O2 (C25 H31 ClN2 O2)

Compound Name

2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(3-methylbutyl)-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide

IUPAC name

2-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(3-methylbutyl)-1-oxo-2345-tetrahydro-1H-2-benzazepine-3-carboxamide

SMILES

CC(C)CCNC(C(C)(CCc1c2cccc1)N(CCc(cc1)ccc1Cl)C2=O)=O

InChI

InChI=1S/C25H31ClN2O2/c1-18(2)13-16-27-24(30)25(3)15-12-20-6-4-5-7-22(20)23(29)28(25)17-14-19-8-10-21(26)11-9-19/h4-11,18H,12-17H2,1-3H3,(H,27,30)/t25-/m0/s1

InChI Key

GQQVWANFCWESIP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14785907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.757

Distribution Coefficient, logD

5.756

Water Solubility, LogSw

-5.86

Polar Surface Area

40.769

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C700-2291 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Bromodomain Modulators Library (5801 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C700-2291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2291?
Check Price and Availability of C700-2291, 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 C700-2291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2291
  • 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 C700-2291 available by request