M107-0035 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

M107-0035 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
M107-0035 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M107-0035
N-(3-chloro-4-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]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

M107-0035

Molecular Formula

C18H20ClN5O4S (C18 H20 ClN5 O4 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-3-[(139-trimethyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

SMILES

Cn1c(SCCC(Nc(cc2)cc(Cl)c2OC)=O)nc(C(N2C)=O)c1N(C)C2=O

InChI

InChI=1S/C18H20ClN5O4S/c1-22-15-14(16(26)24(3)18(27)23(15)2)21-17(22)29-8-7-13(25)20-10-5-6-12(28-4)11(19)9-10/h5-6,9H,7-8H2,1-4H3,(H,20,25)

InChI Key

XTPHDFPDWZVDOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.693

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-3.54

Polar Surface Area

74.820

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with M107-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M107-0035?
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What is the minimum amount of M107-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M107-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M107-0035
  • 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 M107-0035 available by request