C200-2029 Screening compound: N~1~-cyclohexyl-4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

C200-2029 Screening compound: N~1~-cyclohexyl-4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
C200-2029 Screening compound: N~1~-cyclohexyl-4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2029
N~1~-cyclohexyl-4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

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

C200-2029

Molecular Formula

C28H36N4O3S2 (C28 H36 N4 O3 S2)

Compound Name

N~1~-cyclohexyl-4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

IUPAC name

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

SMILES

O=C(CCCN(C1=O)C(SCC(NC2CCCCC2)=O)=Nc2c1sc1c2cccc1)NC1CCCCC1

InChI

InChI=1S/C28H36N4O3S2/c33-23(29-19-10-3-1-4-11-19)16-9-17-32-27(35)26-25(21-14-7-8-15-22(21)37-26)31-28(32)36-18-24(34)30-20-12-5-2-6-13-20/h7-8,14-15,19-20H,1-6,9-13,16-18H2,(H,29,33)(H,30,34)

InChI Key

VLBXBQXPYFBKND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

4.667

Water Solubility, LogSw

-4.46

Polar Surface Area

72.638

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

C200-2029 in Drug Discovery

Included in Screening Libraries

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 C200-2029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2029?
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What is the minimum amount of C200-2029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2029
  • 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 C200-2029 available by request