J038-2511 Screening compound: 4-{8-chloro-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-4-yl}benzoic acid

J038-2511 Screening compound: 4-{8-chloro-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-4-yl}benzoic acid
J038-2511 Screening compound: 4-{8-chloro-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-4-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J038-2511
4-{8-chloro-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-4-yl}benzoic acid

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

J038-2511

Molecular Formula

C18H16ClNO3 (C18 H16 ClNO3)

Compound Name

4-{8-chloro-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-4-yl}benzoic acid

IUPAC name

4-[(3aS9bS)-8-chloro-2H3H3aH4H5H9bH-furo[32-c]quinolin-4-yl]benzoic acid

SMILES

OC(c1ccc(C([C@H]2[C@@H]3OCC2)Nc(cc2)c3cc2Cl)cc1)=O

InChI

InChI=1S/C18H16ClNO3/c19-12-5-6-15-14(9-12)17-13(7-8-23-17)16(20-15)10-1-3-11(4-2-10)18(21)22/h1-6,9,13,16-17,20H,7-8H2,(H,21,22)/t13-,16?,17+/m1/s1

InChI Key

VUIVNIRTYXJXCX-SCMQIHGUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

1.105

Water Solubility, LogSw

-4.51

Polar Surface Area

49.604

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

27.80

J038-2511 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J038-2511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J038-2511?
Check Price and Availability of J038-2511, 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 J038-2511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J038-2511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J038-2511
  • 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 J038-2511 available by request