D180-0017 Screening compound: 1-(2-ethylphenyl)-3-(4-fluorophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

D180-0017 Screening compound: 1-(2-ethylphenyl)-3-(4-fluorophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
D180-0017 Screening compound: 1-(2-ethylphenyl)-3-(4-fluorophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D180-0017
1-(2-ethylphenyl)-3-(4-fluorophenyl)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

D180-0017

Molecular Formula

C19H19FN2O3S (C19 H19 FN2 O3 S)

Compound Name

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

IUPAC name

1-(2-ethylphenyl)-3-(4-fluorophenyl)-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

CCc(cccc1)c1N(C(CS(C1)(=O)=O)C1N1c(cc2)ccc2F)C1=O

InChI

InChI=1S/C19H19FN2O3S/c1-2-13-5-3-4-6-16(13)22-18-12-26(24,25)11-17(18)21(19(22)23)15-9-7-14(20)8-10-15/h3-10,17-18H,2,11-12H2,1H3

InChI Key

YXOSBYWEBBWTFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06438195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

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

2.749

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.21

Polar Surface Area

45.661

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-6.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

D180-0017 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D180-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D180-0017?
Check Price and Availability of D180-0017, 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 D180-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D180-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D180-0017
  • 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 D180-0017 available by request