L485-4037 Screening compound: N-(4-bromo-2-methylphenyl)-8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-amine

L485-4037 Screening compound: N-(4-bromo-2-methylphenyl)-8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-amine
L485-4037 Screening compound: N-(4-bromo-2-methylphenyl)-8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L485-4037
N-(4-bromo-2-methylphenyl)-8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-amine

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

L485-4037

Molecular Formula

C22H22BrN3O2S (C22 H22 BrN3 O2 S)

Compound Name

N-(4-bromo-2-methylphenyl)-8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-amine

IUPAC name

N-(4-bromo-2-methylphenyl)-8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-amine

SMILES

Cc(cc(cc1)Br)c1Nc(c1ccc2)cc(C(N3CCSCC3)=O)nc1c2OC

InChI

InChI=1S/C22H22BrN3O2S/c1-14-12-15(23)6-7-17(14)24-18-13-19(22(27)26-8-10-29-11-9-26)25-21-16(18)4-3-5-20(21)28-2/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)

InChI Key

NSEYDRJXDAOEAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27456949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.65

Polar Surface Area

41.135

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L485-4037 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L485-4037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L485-4037?
Check Price and Availability of L485-4037, 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 L485-4037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L485-4037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L485-4037
  • 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 L485-4037 available by request