C200-2016 Screening compound: N~1~-cyclohexyl-4-[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

C200-2016 Screening compound: N~1~-cyclohexyl-4-[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
C200-2016 Screening compound: N~1~-cyclohexyl-4-[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2016
N~1~-cyclohexyl-4-[2-({2-[(3-methoxypropyl)amino]-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

C200-2016

Molecular Formula

C26H34N4O4S2 (C26 H34 N4 O4 S2)

Compound Name

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

IUPAC name

N-cyclohexyl-4-[4-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl]butanamide

SMILES

COCCCNC(CSC(N(CCCC(NC1CCCCC1)=O)C1=O)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C26H34N4O4S2/c1-34-16-8-14-27-22(32)17-35-26-29-23-19-11-5-6-12-20(19)36-24(23)25(33)30(26)15-7-13-21(31)28-18-9-3-2-4-10-18/h5-6,11-12,18H,2-4,7-10,13-17H2,1H3,(H,27,32)(H,28,31)

InChI Key

JUFOXVLFQCVRFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.26

Polar Surface Area

81.368

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with C200-2016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2016?
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What is the minimum amount of C200-2016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2016
  • 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 C200-2016 available by request