D110-0013 Screening compound: 1-(4-nitrophenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

D110-0013 Screening compound: 1-(4-nitrophenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
D110-0013 Screening compound: 1-(4-nitrophenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D110-0013
1-(4-nitrophenyl)-3-phenyltetrahydro-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

D110-0013

Molecular Formula

C17H15N3O5S (C17 H15 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1c2ccccc2)C1=O)=O

InChI

InChI=1S/C17H15N3O5S/c21-17-18(12-4-2-1-3-5-12)15-10-26(24,25)11-16(15)19(17)13-6-8-14(9-7-13)20(22)23/h1-9,15-16H,10-11H2

InChI Key

WWKPIQCLFKGSEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

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

1.635

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-2.27

Polar Surface Area

79.343

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-7.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

D110-0013 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 D110-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D110-0013?
Check Price and Availability of D110-0013, 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 D110-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D110-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D110-0013
  • 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 D110-0013 available by request