8013-1495 Screening compound: 2,1,3-benzoxadiazol-5-ylmethyl 2-methyl-4-quinolinecarboxylate

8013-1495 Screening compound: 2,1,3-benzoxadiazol-5-ylmethyl 2-methyl-4-quinolinecarboxylate
8013-1495 Screening compound: 2,1,3-benzoxadiazol-5-ylmethyl 2-methyl-4-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1495
2,1,3-benzoxadiazol-5-ylmethyl 2-methyl-4-quinolinecarboxylate

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

8013-1495

Molecular Formula

C18H13N3O3 (C18 H13 N3 O3)

Compound Name

2,1,3-benzoxadiazol-5-ylmethyl 2-methyl-4-quinolinecarboxylate

IUPAC name

(213-benzoxadiazol-5-yl)methyl 2-methylquinoline-4-carboxylate

SMILES

Cc1nc2ccccc2c(C(OCc2cc3nonc3cc2)=O)c1

InChI

InChI=1S/C18H13N3O3/c1-11-8-14(13-4-2-3-5-15(13)19-11)18(22)23-10-12-6-7-16-17(9-12)21-24-20-16/h2-9H,10H2,1H3

InChI Key

CJSWMTLHSGEYLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.36

Polar Surface Area

64.553

Acid Dissociation Constant (pKa)

26.57

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8013-1495 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1495?
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What is the minimum amount of 8013-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1495
  • 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 8013-1495 available by request