C799-0734 Screening compound: 4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoic acid

C799-0734 Screening compound: 4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoic acid
C799-0734 Screening compound: 4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0734
4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoic acid

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

C799-0734

Molecular Formula

C18H13N3O3 (C18 H13 N3 O3)

Compound Name

4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzoic acid

IUPAC name

4-({7-oxo-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}methyl)benzoic acid

SMILES

OC(c1ccc(CN(C2=O)c3ncccc3-n3c2ccc3)cc1)=O

InChI

InChI=1S/C18H13N3O3/c22-17-15-4-2-10-20(15)14-3-1-9-19-16(14)21(17)11-12-5-7-13(8-6-12)18(23)24/h1-10H,11H2,(H,23,24)

InChI Key

HJSLQZZHMOYHPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.169

Distribution Coefficient, logD

0.198

Water Solubility, LogSw

-3.19

Polar Surface Area

55.705

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C799-0734 in Drug Discovery

Included in Screening Libraries

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

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C799-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0734?
Check Price and Availability of C799-0734, 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 C799-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0734
  • 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 C799-0734 available by request