L968-0496 Screening compound: N-(4-bromo-3-methylphenyl)-7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-amine

L968-0496 Screening compound: N-(4-bromo-3-methylphenyl)-7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-amine
L968-0496 Screening compound: N-(4-bromo-3-methylphenyl)-7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L968-0496
N-(4-bromo-3-methylphenyl)-7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-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

L968-0496

Molecular Formula

C21H21BrN4OS (C21 H21 BrN4 OS)

Compound Name

N-(4-bromo-3-methylphenyl)-7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-amine

IUPAC name

N-(4-bromo-3-methylphenyl)-7-methyl-3-(thiomorpholine-4-carbonyl)-18-naphthyridin-4-amine

SMILES

Cc(cc(cc1)Nc(c2ccc(C)nc2nc2)c2C(N2CCSCC2)=O)c1Br

InChI

InChI=1S/C21H21BrN4OS/c1-13-11-15(4-6-18(13)22)25-19-16-5-3-14(2)24-20(16)23-12-17(19)21(27)26-7-9-28-10-8-26/h3-6,11-12H,7-10H2,1-2H3,(H,23,24,25)

InChI Key

RQBDMKVGDBPMMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591240

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

457.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.11

Polar Surface Area

43.004

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L968-0496 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L968-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L968-0496?
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What is the minimum amount of L968-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L968-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L968-0496
  • 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 L968-0496 available by request