C604-0165 Screening compound: 4-[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)butanamide

C604-0165 Screening compound: 4-[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)butanamide
C604-0165 Screening compound: 4-[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C604-0165
4-[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)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

C604-0165

Molecular Formula

C25H32N4O5S2 (C25 H32 N4 O5 S2)

Compound Name

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

IUPAC name

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]-N-[(oxolan-2-yl)methyl]butanamide

SMILES

COCCCNC(CSC(N(CCCC(NCC1OCCC1)=O)C1=O)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C25H32N4O5S2/c1-33-13-6-11-26-21(31)16-35-25-28-22-18-8-2-3-9-19(18)36-23(22)24(32)29(25)12-4-10-20(30)27-15-17-7-5-14-34-17/h2-3,8-9,17H,4-7,10-16H2,1H3,(H,26,31)(H,27,30)/t17-/m1/s1

InChI Key

PWNFLKVHLOONQK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14775166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.098

Distribution Coefficient, logD

1.098

Water Solubility, LogSw

-2.20

Polar Surface Area

90.297

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

C604-0165 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C604-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C604-0165?
Check Price and Availability of C604-0165, 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 C604-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C604-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C604-0165
  • 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 C604-0165 available by request