C700-1843 Screening compound: N~6~-(4-ethoxyphenyl)-7-(4-fluorophenyl)-2,4-dimethyl-5H-pyrido[3,2-f]pyrrolo[1,2-a][1,4]diazepine-6(7H)-carboxamide

C700-1843 Screening compound: N~6~-(4-ethoxyphenyl)-7-(4-fluorophenyl)-2,4-dimethyl-5H-pyrido[3,2-f]pyrrolo[1,2-a][1,4]diazepine-6(7H)-carboxamide
C700-1843 Screening compound: N~6~-(4-ethoxyphenyl)-7-(4-fluorophenyl)-2,4-dimethyl-5H-pyrido[3,2-f]pyrrolo[1,2-a][1,4]diazepine-6(7H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1843
N~6~-(4-ethoxyphenyl)-7-(4-fluorophenyl)-2,4-dimethyl-5H-pyrido[3,2-f]pyrrolo[1,2-a][1,4]diazepine-6(7H)-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

C700-1843

Molecular Formula

C28H27FN4O2 (C28 H27 FN4 O2)

Compound Name

N~6~-(4-ethoxyphenyl)-7-(4-fluorophenyl)-2,4-dimethyl-5H-pyrido[3,2-f]pyrrolo[1,2-a][1,4]diazepine-6(7H)-carboxamide

IUPAC name

N-(4-ethoxyphenyl)-7-(4-fluorophenyl)-1113-dimethyl-2814-triazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene-8-carboxamide

SMILES

CCOc(cc1)ccc1NC(N(Cc1c(-n2c3ccc2)nc(C)cc1C)C3c(cc1)ccc1F)=O

InChI

InChI=1S/C28H27FN4O2/c1-4-35-23-13-11-22(12-14-23)31-28(34)33-17-24-18(2)16-19(3)30-27(24)32-15-5-6-25(32)26(33)20-7-9-21(29)10-8-20/h5-16,26H,4,17H2,1-3H3,(H,31,34)/t26-/m1/s1

InChI Key

JNQGEUQPFRWSCK-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14785680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.466

Distribution Coefficient, logD

6.465

Water Solubility, LogSw

-5.60

Polar Surface Area

43.400

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

C700-1843 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C700-1843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1843?
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What is the minimum amount of C700-1843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1843
  • 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 C700-1843 available by request