4802-0260 Screening compound: 4-{7,7-dimethyl-9,11-dioxo-5H,6H,7H,8H,9H,10H,11H-indeno[1,2-b]quinolin-10-yl}phenyl 4-chlorobenzoate

4802-0260 Screening compound: 4-{7,7-dimethyl-9,11-dioxo-5H,6H,7H,8H,9H,10H,11H-indeno[1,2-b]quinolin-10-yl}phenyl 4-chlorobenzoate
4802-0260 Screening compound: 4-{7,7-dimethyl-9,11-dioxo-5H,6H,7H,8H,9H,10H,11H-indeno[1,2-b]quinolin-10-yl}phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0260
4-{7,7-dimethyl-9,11-dioxo-5H,6H,7H,8H,9H,10H,11H-indeno[1,2-b]quinolin-10-yl}phenyl 4-chlorobenzoate

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

4802-0260

Molecular Formula

C31H24ClNO4 (C31 H24 ClNO4)

Compound Name

4-{7,7-dimethyl-9,11-dioxo-5H,6H,7H,8H,9H,10H,11H-indeno[1,2-b]quinolin-10-yl}phenyl 4-chlorobenzoate

IUPAC name

4-{77-dimethyl-911-dioxo-5H6H7H8H9H10H11H-indeno[12-b]quinolin-10-yl}phenyl 4-chlorobenzoate

SMILES

CC(C)(C1)CC(NC(c2c3cccc2)=C(C2c(cc4)ccc4OC(c(cc4)ccc4Cl)=O)C3=O)=C2C1=O

InChI

InChI=1S/C31H24ClNO4/c1-31(2)15-23-26(24(34)16-31)25(27-28(33-23)21-5-3-4-6-22(21)29(27)35)17-9-13-20(14-10-17)37-30(36)18-7-11-19(32)12-8-18/h3-14,25,33H,15-16H2,1-2H3/t25-/m0/s1

InChI Key

VLLHOXPXEXVYNM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03009954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.918

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-6.33

Polar Surface Area

58.018

Acid Dissociation Constant (pKa)

3.23

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with 4802-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0260?
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What is the minimum amount of 4802-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0260
  • 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 4802-0260 available by request