C200-2009 Screening compound: 4-[2-{[2-(sec-butylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide

C200-2009 Screening compound: 4-[2-{[2-(sec-butylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide
C200-2009 Screening compound: 4-[2-{[2-(sec-butylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2009
4-[2-{[2-(sec-butylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide

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

C200-2009

Molecular Formula

C26H34N4O3S2 (C26 H34 N4 O3 S2)

Compound Name

4-[2-{[2-(sec-butylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-cyclohexylbutanamide

IUPAC name

4-[4-({[(butan-2-yl)carbamoyl]methyl}sulfanyl)-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl]-N-cyclohexylbutanamide

SMILES

CCC(C)NC(CSC(N(CCCC(NC1CCCCC1)=O)C1=O)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C26H34N4O3S2/c1-3-17(2)27-22(32)16-34-26-29-23-19-12-7-8-13-20(19)35-24(23)25(33)30(26)15-9-14-21(31)28-18-10-5-4-6-11-18/h7-8,12-13,17-18H,3-6,9-11,14-16H2,1-2H3,(H,27,32)(H,28,31)/t17-/m0/s1

InChI Key

YGJIDZNQOFOTTR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14726329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-3.83

Polar Surface Area

72.625

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

C200-2009 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C200-2009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2009?
Check Price and Availability of C200-2009, 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 C200-2009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2009
  • 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 C200-2009 available by request