L150-1217 Screening compound: 3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

L150-1217 Screening compound: 3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
L150-1217 Screening compound: 3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L150-1217
3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

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

L150-1217

Molecular Formula

C19H22FN5O3S (C19 H22 FN5 O3 S)

Compound Name

3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

IUPAC name

3-[(9-ethyl-13-dimethyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

SMILES

CCn1c(SCCC(NCc(cc2)ccc2F)=O)nc(C(N2C)=O)c1N(C)C2=O

InChI

InChI=1S/C19H22FN5O3S/c1-4-25-16-15(17(27)24(3)19(28)23(16)2)22-18(25)29-10-9-14(26)21-11-12-5-7-13(20)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,21,26)

InChI Key

DOTNQOIDMUCQGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27234624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.77

Polar Surface Area

67.426

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with L150-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L150-1217?
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What is the minimum amount of L150-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L150-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L150-1217
  • 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 L150-1217 available by request