C172-0355 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]hexanamide

C172-0355 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
C172-0355 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0355
6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]hexanamide

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

C172-0355

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]hexanamide

IUPAC name

6-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]hexanamide

SMILES

COc1ccc(CNC(CCCCCN(C(c(scc2)c2N2)=O)C2=O)=O)cc1

InChI

InChI=1S/C20H23N3O4S/c1-27-15-8-6-14(7-9-15)13-21-17(24)5-3-2-4-11-23-19(25)18-16(10-12-28-18)22-20(23)26/h6-10,12H,2-5,11,13H2,1H3,(H,21,24)(H,22,26)

InChI Key

SXBFRTQYBNBEPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.656

Water Solubility, LogSw

-3.11

Polar Surface Area

73.492

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C172-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0355?
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What is the minimum amount of C172-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0355
  • 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 C172-0355 available by request