L541-0503 Screening compound: 7-cyclopropyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

L541-0503 Screening compound: 7-cyclopropyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
L541-0503 Screening compound: 7-cyclopropyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L541-0503
7-cyclopropyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

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

L541-0503

Molecular Formula

C22H15F3N4O4S (C22 H15 F3 N4 O4 S)

Compound Name

7-cyclopropyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

IUPAC name

7-cyclopropyl-6-[({3-[3-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}methyl)sulfanyl]-2H7H8H-[13]dioxolo[45-g]quinazolin-8-one

SMILES

O=C1N(C2CC2)C(SCc2nc(-c3cc(C(F)(F)F)ccc3)no2)=Nc2c1cc1OCOc1c2

InChI

InChI=1S/C22H15F3N4O4S/c23-22(24,25)12-3-1-2-11(6-12)19-27-18(33-28-19)9-34-21-26-15-8-17-16(31-10-32-17)7-14(15)20(30)29(21)13-4-5-13/h1-3,6-8,13H,4-5,9-10H2

InChI Key

JQFZJZIDGUCCTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.588

Distribution Coefficient, logD

5.588

Water Solubility, LogSw

-6.05

Polar Surface Area

73.782

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with L541-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L541-0503?
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What is the minimum amount of L541-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L541-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L541-0503
  • 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 L541-0503 available by request