C076-0580 Screening compound: 7-methyl-5-phenyl-4-(3,4,5-triethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0580 Screening compound: 7-methyl-5-phenyl-4-(3,4,5-triethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0580 Screening compound: 7-methyl-5-phenyl-4-(3,4,5-triethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0580
7-methyl-5-phenyl-4-(3,4,5-triethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

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

C076-0580

Molecular Formula

C29H32N2O5 (C29 H32 N2 O5)

Compound Name

7-methyl-5-phenyl-4-(3,4,5-triethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-methyl-5-phenyl-4-(345-triethoxybenzoyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

CCOc1cc(C(N(C2)C(c3ccccc3)c(cc(C)cc3)c3NC2=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C29H32N2O5/c1-5-34-24-16-21(17-25(35-6-2)28(24)36-7-3)29(33)31-18-26(32)30-23-14-13-19(4)15-22(23)27(31)20-11-9-8-10-12-20/h8-17,27H,5-7,18H2,1-4H3,(H,30,32)/t27-/m1/s1

InChI Key

XMCNKONGEYCXBJ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD04455124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.957

Distribution Coefficient, logD

4.957

Water Solubility, LogSw

-4.49

Polar Surface Area

62.743

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

C076-0580 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C076-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0580?
Check Price and Availability of C076-0580, 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 C076-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0580
  • 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 C076-0580 available by request