L110-0805 Screening compound: 3-butyl-1-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

L110-0805 Screening compound: 3-butyl-1-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
L110-0805 Screening compound: 3-butyl-1-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L110-0805
3-butyl-1-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-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

L110-0805

Molecular Formula

C22H19F3N4O4 (C22 H19 F3 N4 O4)

Compound Name

3-butyl-1-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-butyl-1-({3-[4-(trifluoromethoxy)phenyl]-124-oxadiazol-5-yl}methyl)-1234-tetrahydroquinazoline-24-dione

SMILES

CCCCN(C(c(cccc1)c1N1Cc2nc(-c(cc3)ccc3OC(F)(F)F)no2)=O)C1=O

InChI

InChI=1S/C22H19F3N4O4/c1-2-3-12-28-20(30)16-6-4-5-7-17(16)29(21(28)31)13-18-26-19(27-33-18)14-8-10-15(11-9-14)32-22(23,24)25/h4-11H,2-3,12-13H2,1H3

InChI Key

DFFCNGYLIYYFDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.33

Polar Surface Area

68.796

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L110-0805 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 L110-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L110-0805?
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What is the minimum amount of L110-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L110-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L110-0805
  • 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 L110-0805 available by request