D110-0048 Screening compound: 1-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

D110-0048 Screening compound: 1-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
D110-0048 Screening compound: 1-(3-bromophenyl)-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 D110-0048
1-(3-bromophenyl)-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

D110-0048

Molecular Formula

C18H14BrF3N2O3S (C18 H14 BrF3 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(N(C(C1)C2CS1(=O)=O)c1cc(C(F)(F)F)ccc1)N2c1cccc(Br)c1

InChI

InChI=1S/C18H14BrF3N2O3S/c19-12-4-2-6-14(8-12)24-16-10-28(26,27)9-15(16)23(17(24)25)13-5-1-3-11(7-13)18(20,21)22/h1-8,15-16H,9-10H2

InChI Key

TUAOBQYHUONLPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.29

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

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.84

Polar Surface Area

45.962

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-8.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

D110-0048 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 D110-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D110-0048?
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What is the minimum amount of D110-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D110-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D110-0048
  • 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 D110-0048 available by request