6497-0001 Screening compound: 1,3-bis(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

6497-0001 Screening compound: 1,3-bis(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
6497-0001 Screening compound: 1,3-bis(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6497-0001
1,3-bis(4-methoxyphenyl)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

6497-0001

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

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

IUPAC name

13-bis(4-methoxyphenyl)-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

COc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C19H20N2O5S/c1-25-15-7-3-13(4-8-15)20-17-11-27(23,24)12-18(17)21(19(20)22)14-5-9-16(26-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3

InChI Key

PUOXKDHWTDSTRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04443659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.796

Distribution Coefficient, logD

1.796

Water Solubility, LogSw

-2.39

Polar Surface Area

61.049

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

6497-0001 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 6497-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6497-0001?
Check Price and Availability of 6497-0001, 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 6497-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6497-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6497-0001
  • 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 6497-0001 available by request