C241-0834 Screening compound: 1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C241-0834 Screening compound: 1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C241-0834 Screening compound: 1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-0834
1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-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

C241-0834

Molecular Formula

C20H12F3N3O4S (C20 H12 F3 N3 O4 S)

Compound Name

1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

[O-][N+](c1ccc(CN(c2c(C(N3c4cc(C(F)(F)F)ccc4)=O)scc2)C3=O)cc1)=O

InChI

InChI=1S/C20H12F3N3O4S/c21-20(22,23)13-2-1-3-15(10-13)25-18(27)17-16(8-9-31-17)24(19(25)28)11-12-4-6-14(7-5-12)26(29)30/h1-10H,11H2

InChI Key

ZEWWPLYJRJOIIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.76

Polar Surface Area

65.055

Acid Dissociation Constant (pKa)

28.58

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C241-0834 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C241-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-0834?
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What is the minimum amount of C241-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-0834
  • 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 C241-0834 available by request