D110-0130 Screening compound: 1-(3,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

D110-0130 Screening compound: 1-(3,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
D110-0130 Screening compound: 1-(3,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D110-0130
1-(3,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]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

D110-0130

Molecular Formula

C20H19F3N2O3S (C20 H19 F3 N2 O3 S)

Compound Name

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

IUPAC name

1-(35-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

Cc1cc(N(C(CS(C2)(=O)=O)C2N2c3cc(C(F)(F)F)ccc3)C2=O)cc(C)c1

InChI

InChI=1S/C20H19F3N2O3S/c1-12-6-13(2)8-16(7-12)25-18-11-29(27,28)10-17(18)24(19(25)26)15-5-3-4-14(9-15)20(21,22)23/h3-9,17-18H,10-11H2,1-2H3

InChI Key

NXSDUPOAHXQLQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-3.99

Polar Surface Area

45.962

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-8.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

D110-0130 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D110-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D110-0130?
Check Price and Availability of D110-0130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D110-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D110-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D110-0130
  • 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 D110-0130 available by request