L110-0862 Screening compound: 1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

L110-0862 Screening compound: 1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
L110-0862 Screening compound: 1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L110-0862
1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

L110-0862

Molecular Formula

C22H20ClFN4O3 (C22 H20 ClFN4 O3)

Compound Name

1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

1-{[3-(4-chloro-3-fluorophenyl)-124-oxadiazol-5-yl]methyl}-3-pentyl-1234-tetrahydroquinazoline-24-dione

SMILES

CCCCCN(C(c(cccc1)c1N1Cc2nc(-c(cc3)cc(F)c3Cl)no2)=O)C1=O

InChI

InChI=1S/C22H20ClFN4O3/c1-2-3-6-11-27-21(29)15-7-4-5-8-18(15)28(22(27)30)13-19-25-20(26-31-19)14-9-10-16(23)17(24)12-14/h4-5,7-10,12H,2-3,6,11,13H2,1H3

InChI Key

RQEYLSFIORAJPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.725

Distribution Coefficient, logD

5.725

Water Solubility, LogSw

-5.78

Polar Surface Area

62.860

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L110-0862 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L110-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L110-0862?
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What is the minimum amount of L110-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L110-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L110-0862
  • 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 L110-0862 available by request