3807-4621 Screening compound: 10-(5-bromo-2-hydroxyphenyl)-7,7-dimethyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

3807-4621 Screening compound: 10-(5-bromo-2-hydroxyphenyl)-7,7-dimethyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
3807-4621 Screening compound: 10-(5-bromo-2-hydroxyphenyl)-7,7-dimethyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4621
10-(5-bromo-2-hydroxyphenyl)-7,7-dimethyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

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

3807-4621

Molecular Formula

C24H20BrNO3 (C24 H20 BrNO3)

Compound Name

10-(5-bromo-2-hydroxyphenyl)-7,7-dimethyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

IUPAC name

10-(5-bromo-2-hydroxyphenyl)-77-dimethyl-6H7H8H9H10H10aH11H-indeno[12-b]quinoline-911-dione

SMILES

CC(C)(C1)CC(N=C(C2C3c(cc(cc4)Br)c4O)c(cccc4)c4C2=O)=C3C1=O

InChI

InChI=1S/C24H20BrNO3/c1-24(2)10-16-20(18(28)11-24)19(15-9-12(25)7-8-17(15)27)21-22(26-16)13-5-3-4-6-14(13)23(21)29/h3-9,19,21,27H,10-11H2,1-2H3

InChI Key

UDWJDMMLGXFQOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.575

Water Solubility, LogSw

-4.22

Polar Surface Area

50.418

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.17

3807-4621 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3807-4621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4621?
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What is the minimum amount of 3807-4621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4621
  • 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 3807-4621 available by request