C200-4374 Screening compound: methyl 3-{[3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate

C200-4374 Screening compound: methyl 3-{[3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate
C200-4374 Screening compound: methyl 3-{[3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4374
methyl 3-{[3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate

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

C200-4374

Molecular Formula

C23H26N2O6S (C23 H26 N2 O6 S)

Compound Name

methyl 3-{[3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate

IUPAC name

methyl 3-{[3-(4-ethylphenyl)-255-trioxo-hexahydro-1H-5lambda6-thieno[34-d]imidazol-1-yl]methyl}-4-methoxybenzoate

SMILES

CCc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1Cc(cc(cc2)C(OC)=O)c2OC)C1=O

InChI

InChI=1S/C23H26N2O6S/c1-4-15-5-8-18(9-6-15)25-20-14-32(28,29)13-19(20)24(23(25)27)12-17-11-16(22(26)31-3)7-10-21(17)30-2/h5-11,19-20H,4,12-14H2,1-3H3

InChI Key

WXOUJPXYPZWNLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.36

Polar Surface Area

75.377

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-7.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

C200-4374 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 C200-4374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4374?
Check Price and Availability of C200-4374, 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 C200-4374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4374
  • 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 C200-4374 available by request