4748-0808 Screening compound: 1-(4-chlorophenyl)-2-oxo-1H,2H,3H,6H-[1,4]diazepino[6,5-b]indol-4-ium-4-olate

4748-0808 Screening compound: 1-(4-chlorophenyl)-2-oxo-1H,2H,3H,6H-[1,4]diazepino[6,5-b]indol-4-ium-4-olate
4748-0808 Screening compound: 1-(4-chlorophenyl)-2-oxo-1H,2H,3H,6H-[1,4]diazepino[6,5-b]indol-4-ium-4-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4748-0808
1-(4-chlorophenyl)-2-oxo-1H,2H,3H,6H-[1,4]diazepino[6,5-b]indol-4-ium-4-olate

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

4748-0808

Molecular Formula

C17H12ClN3O2 (C17 H12 ClN3 O2)

Compound Name

1-(4-chlorophenyl)-2-oxo-1H,2H,3H,6H-[1,4]diazepino[6,5-b]indol-4-ium-4-olate

IUPAC name

1-(4-chlorophenyl)-2-oxo-1H2H3H6H-[14]diazepino[65-b]indol-4-ium-4-olate

SMILES

[O-][N+](C1)=Cc([nH]c2c3cccc2)c3N(c(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C17H12ClN3O2/c18-11-5-7-12(8-6-11)21-16(22)10-20(23)9-15-17(21)13-3-1-2-4-14(13)19-15/h1-9,19H,10H2

InChI Key

CPPMVHVBPDZSIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.47

Polar Surface Area

47.025

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4748-0808 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4748-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4748-0808?
Check Price and Availability of 4748-0808, 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 4748-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4748-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4748-0808
  • 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 4748-0808 available by request