C172-0485 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-5-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}pentanamide

C172-0485 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-5-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}pentanamide
C172-0485 Screening compound: N-[2-(cyclohex-1-en-1-yl)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 C172-0485
N-[2-(cyclohex-1-en-1-yl)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

C172-0485

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCCN(C(c(scc1)c1N1)=O)C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C19H25N3O3S/c23-16(20-11-9-14-6-2-1-3-7-14)8-4-5-12-22-18(24)17-15(10-13-26-17)21-19(22)25/h6,10,13H,1-5,7-9,11-12H2,(H,20,23)(H,21,25)

InChI Key

IAHJWNPFGWEQDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.85

Polar Surface Area

65.982

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with C172-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0485?
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What is the minimum amount of C172-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0485
  • 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 C172-0485 available by request