C800-0548 Screening compound: N~5~-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

C800-0548 Screening compound: N~5~-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
C800-0548 Screening compound: N~5~-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0548
N~5~-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-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

C800-0548

Molecular Formula

C28H27N3O2 (C28 H27 N3 O2)

Compound Name

N~5~-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

N-(25-dimethylphenyl)-7-(4-methoxyphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene-8-carboxamide

SMILES

Cc1cc(NC(N(Cc(cccc2)c2-n2c3ccc2)C3c(cc2)ccc2OC)=O)c(C)cc1

InChI

InChI=1S/C28H27N3O2/c1-19-10-11-20(2)24(17-19)29-28(32)31-18-22-7-4-5-8-25(22)30-16-6-9-26(30)27(31)21-12-14-23(33-3)15-13-21/h4-17,27H,18H2,1-3H3,(H,29,32)/t27-/m1/s1

InChI Key

QWGMGXOBSHWWOC-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14799759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.180

Distribution Coefficient, logD

6.180

Water Solubility, LogSw

-5.48

Polar Surface Area

33.417

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

C800-0548 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C800-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0548?
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What is the minimum amount of C800-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0548
  • 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 C800-0548 available by request