6145-0691 Screening compound: isopentyl 6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate

6145-0691 Screening compound: isopentyl 6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate
6145-0691 Screening compound: isopentyl 6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-0691
isopentyl 6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate

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

6145-0691

Molecular Formula

C22H19NO4 (C22 H19 NO4)

Compound Name

isopentyl 6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate

IUPAC name

3-methylbutyl 29-dioxo-11-azatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)357121416-heptaene-17-carboxylate

SMILES

CC(C)CCOC(c1c(cccc2)n2c(C(c2c3cccc2)=O)c1C3=O)=O

InChI

InChI=1S/C22H19NO4/c1-13(2)10-12-27-22(26)17-16-9-5-6-11-23(16)19-18(17)20(24)14-7-3-4-8-15(14)21(19)25/h3-9,11,13H,10,12H2,1-2H3

InChI Key

XDTJDSPPUJJMBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04482581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.622

Distribution Coefficient, logD

4.622

Water Solubility, LogSw

-4.52

Polar Surface Area

47.234

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

6145-0691 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6145-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0691?
Check Price and Availability of 6145-0691, 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 6145-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0691
  • 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 6145-0691 available by request