J099-1028 Screening compound: methyl 4-{[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate

J099-1028 Screening compound: methyl 4-{[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate
J099-1028 Screening compound: methyl 4-{[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-1028
methyl 4-{[(6-oxo-1,2-dihydro-6H-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

J099-1028

Molecular Formula

C20H16N2O4 (C20 H16 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(C1=CN(CCc2ccc3)c2c3C1=O)=O)=O

InChI

InChI=1S/C20H16N2O4/c1-26-20(25)13-5-7-14(8-6-13)21-19(24)16-11-22-10-9-12-3-2-4-15(17(12)22)18(16)23/h2-8,11H,9-10H2,1H3,(H,21,24)

InChI Key

OOIKKHMPXKQIOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-3.73

Polar Surface Area

61.513

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with J099-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-1028?
Check Price and Availability of J099-1028, 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 J099-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-1028
  • 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 J099-1028 available by request