6376-0014 Screening compound: 1-(4-bromophenyl)-3-(3-methoxyphenyl)-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione

6376-0014 Screening compound: 1-(4-bromophenyl)-3-(3-methoxyphenyl)-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione
6376-0014 Screening compound: 1-(4-bromophenyl)-3-(3-methoxyphenyl)-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6376-0014
1-(4-bromophenyl)-3-(3-methoxyphenyl)-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione

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

6376-0014

Molecular Formula

C18H17BrN2O3S2 (C18 H17 BrN2 O3 S2)

Compound Name

1-(4-bromophenyl)-3-(3-methoxyphenyl)-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione

IUPAC name

1-(4-bromophenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-hexahydro-1H-5lambda6-thieno[34-d]imidazole-55-dione

SMILES

COc1cccc(N(C(CS(C2)(=O)=O)C2N2c(cc3)ccc3Br)C2=S)c1

InChI

InChI=1S/C18H17BrN2O3S2/c1-24-15-4-2-3-14(9-15)21-17-11-26(22,23)10-16(17)20(18(21)25)13-7-5-12(19)6-8-13/h2-9,16-17H,10-11H2,1H3

InChI Key

OUKBSKFQVVZFAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04064622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.40

Polar Surface Area

40.198

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-8.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

6376-0014 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6376-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6376-0014?
Check Price and Availability of 6376-0014, 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 6376-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6376-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6376-0014
  • 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 6376-0014 available by request