D110-0075 Screening compound: 1-(4-fluorophenyl)-3-(4-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

D110-0075 Screening compound: 1-(4-fluorophenyl)-3-(4-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
D110-0075 Screening compound: 1-(4-fluorophenyl)-3-(4-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D110-0075
1-(4-fluorophenyl)-3-(4-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

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

D110-0075

Molecular Formula

C17H14FN3O5S (C17 H14 FN3 O5 S)

Compound Name

1-(4-fluorophenyl)-3-(4-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

IUPAC name

1-(4-fluorophenyl)-3-(4-nitrophenyl)-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

[O-][N+](c(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C17H14FN3O5S/c18-11-1-3-12(4-2-11)19-15-9-27(25,26)10-16(15)20(17(19)22)13-5-7-14(8-6-13)21(23)24/h1-8,15-16H,9-10H2

InChI Key

UZMFJCVSISWYOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-2.37

Polar Surface Area

79.343

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-8.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

D110-0075 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D110-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D110-0075?
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What is the minimum amount of D110-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D110-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D110-0075
  • 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 D110-0075 available by request