C172-0216 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}pentanamide

C172-0216 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}pentanamide
C172-0216 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0216
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}pentanamide

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

C172-0216

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}pentanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-5-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}pentanamide

SMILES

COc(ccc(CCNC(CCCCN(C(c(scc1)c1N1)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C21H25N3O5S/c1-28-16-7-6-14(13-17(16)29-2)8-10-22-18(25)5-3-4-11-24-20(26)19-15(9-12-30-19)23-21(24)27/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3,(H,22,25)(H,23,27)

InChI Key

BTEZOKDFCPYNAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.470

Distribution Coefficient, logD

1.470

Water Solubility, LogSw

-2.43

Polar Surface Area

81.051

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C172-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0216?
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What is the minimum amount of C172-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0216
  • 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 C172-0216 available by request