C200-1196 Screening compound: 1-[4-(tert-butyl)benzyl]-3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C200-1196 Screening compound: 1-[4-(tert-butyl)benzyl]-3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C200-1196 Screening compound: 1-[4-(tert-butyl)benzyl]-3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1196
1-[4-(tert-butyl)benzyl]-3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-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

C200-1196

Molecular Formula

C29H32N2O4S (C29 H32 N2 O4 S)

Compound Name

1-[4-(tert-butyl)benzyl]-3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

6-[(4-tert-butylphenyl)methyl]-4-(24-dimethoxyphenyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(C)(C)c1ccc(CN(c(sc2c3CCCC2)c3C(N2c(ccc(OC)c3)c3OC)=O)C2=O)cc1

InChI

InChI=1S/C29H32N2O4S/c1-29(2,3)19-12-10-18(11-13-19)17-30-27-25(21-8-6-7-9-24(21)36-27)26(32)31(28(30)33)22-15-14-20(34-4)16-23(22)35-5/h10-16H,6-9,17H2,1-5H3

InChI Key

FPEBXUTUJRTDPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.054

Distribution Coefficient, logD

7.054

Water Solubility, LogSw

-5.72

Polar Surface Area

45.901

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

C200-1196 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1196?
Check Price and Availability of C200-1196, 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 C200-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1196
  • 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 C200-1196 available by request