K844-1026 Screening compound: ethyl 4-{[(6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate

K844-1026 Screening compound: ethyl 4-{[(6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate
K844-1026 Screening compound: ethyl 4-{[(6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-1026
ethyl 4-{[(6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate

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

K844-1026

Molecular Formula

C21H18N2O5 (C21 H18 N2 O5)

Compound Name

ethyl 4-{[(6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate

IUPAC name

ethyl 4-{9-hydroxy-11-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)9-tetraene-10-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C(N1c2c3cccc2CC1)=O)=C3O)=O)=O

InChI

InChI=1S/C21H18N2O5/c1-2-28-21(27)13-6-8-14(9-7-13)22-19(25)16-18(24)15-5-3-4-12-10-11-23(17(12)15)20(16)26/h3-9,24H,2,10-11H2,1H3,(H,22,25)

InChI Key

YSZBLRKPKLAGOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

-0.477

Water Solubility, LogSw

-3.49

Polar Surface Area

76.480

Acid Dissociation Constant (pKa)

4.10

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with K844-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-1026?
Check Price and Availability of K844-1026, 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 K844-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-1026
  • 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 K844-1026 available by request