C700-2301 Screening compound: 2-(2,4-dimethoxyphenyl)-N~3~-isopentyl-3-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide

C700-2301 Screening compound: 2-(2,4-dimethoxyphenyl)-N~3~-isopentyl-3-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
C700-2301 Screening compound: 2-(2,4-dimethoxyphenyl)-N~3~-isopentyl-3-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2301
2-(2,4-dimethoxyphenyl)-N~3~-isopentyl-3-methyl-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

C700-2301

Molecular Formula

C25H32N2O4 (C25 H32 N2 O4)

Compound Name

2-(2,4-dimethoxyphenyl)-N~3~-isopentyl-3-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide

IUPAC name

2-(24-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-2345-tetrahydro-1H-2-benzazepine-3-carboxamide

SMILES

CC(C)CCNC(C(C)(CCc1c2cccc1)N(c(ccc(OC)c1)c1OC)C2=O)=O

InChI

InChI=1S/C25H32N2O4/c1-17(2)13-15-26-24(29)25(3)14-12-18-8-6-7-9-20(18)23(28)27(25)21-11-10-19(30-4)16-22(21)31-5/h6-11,16-17H,12-15H2,1-5H3,(H,26,29)/t25-/m0/s1

InChI Key

LMAZAGBZRUAJQH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14785916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.33

Polar Surface Area

55.052

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C700-2301 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C700-2301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2301?
Check Price and Availability of C700-2301, 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 C700-2301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2301
  • 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 C700-2301 available by request