8014-8950 Screening compound: N~2~-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-methoxy-2-quinolinecarboxamide

8014-8950 Screening compound: N~2~-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-methoxy-2-quinolinecarboxamide
8014-8950 Screening compound: N~2~-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-methoxy-2-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8950
N~2~-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-methoxy-2-quinolinecarboxamide

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

8014-8950

Molecular Formula

C23H24N2O4 (C23 H24 N2 O4)

Compound Name

N~2~-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-methoxy-2-quinolinecarboxamide

IUPAC name

N-[(4S5S)-22-dimethyl-4-phenyl-13-dioxan-5-yl]-4-methoxyquinoline-2-carboxamide

SMILES

CC(C)(OC[C@H]1NC(c2nc3ccccc3c(OC)c2)=O)O[C@@H]1c1ccccc1

InChI

InChI=1S/C23H24N2O4/c1-23(2)28-14-19(21(29-23)15-9-5-4-6-10-15)25-22(26)18-13-20(27-3)16-11-7-8-12-17(16)24-18/h4-13,19,21H,14H2,1-3H3,(H,25,26)/t19-,21-/m1/s1

InChI Key

DHUJHXFGZGPRDX-TZIWHRDSSA-N

MDL Number (MFCD)

MFCD03820735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-4.39

Polar Surface Area

55.872

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.43

8014-8950 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 8014-8950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8950?
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What is the minimum amount of 8014-8950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8950
  • 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 8014-8950 available by request