L927-0439 Screening compound: 3-(3-fluorophenyl)-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

L927-0439 Screening compound: 3-(3-fluorophenyl)-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
L927-0439 Screening compound: 3-(3-fluorophenyl)-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L927-0439
3-(3-fluorophenyl)-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-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

L927-0439

Molecular Formula

C22H12F4N4O3S (C22 H12 F4 N4 O3 S)

Compound Name

3-(3-fluorophenyl)-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-(3-fluorophenyl)-1-({3-[4-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}methyl)-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

O=C(c(scc1)c1N1Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)N(c2cc(F)ccc2)C1=O

InChI

InChI=1S/C22H12F4N4O3S/c23-14-2-1-3-15(10-14)30-20(31)18-16(8-9-34-18)29(21(30)32)11-17-27-19(28-33-17)12-4-6-13(7-5-12)22(24,25)26/h1-10H,11H2

InChI Key

XVDBQANMIJZJNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.180

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.54

Polar Surface Area

63.017

Acid Dissociation Constant (pKa)

30.61

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L927-0439 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L927-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L927-0439?
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What is the minimum amount of L927-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L927-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L927-0439
  • 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 L927-0439 available by request