C200-4653 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-(3-nitrobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

C200-4653 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-(3-nitrobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
C200-4653 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-(3-nitrobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4653
1-[3-(methylsulfanyl)phenyl]-3-(3-nitrobenzyl)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

C200-4653

Molecular Formula

C19H19N3O5S2 (C19 H19 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc1cccc(N(C(CS(C2)(=O)=O)C2N2Cc3cc([N+]([O-])=O)ccc3)C2=O)c1

InChI

InChI=1S/C19H19N3O5S2/c1-28-16-7-3-5-14(9-16)21-18-12-29(26,27)11-17(18)20(19(21)23)10-13-4-2-6-15(8-13)22(24)25/h2-9,17-18H,10-12H2,1H3

InChI Key

KLITXINRIQOBQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

2.163

Water Solubility, LogSw

-2.63

Polar Surface Area

79.955

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

C200-4653 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C200-4653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4653?
Check Price and Availability of C200-4653, 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 C200-4653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4653
  • 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 C200-4653 available by request