M107-0032 Screening compound: N-(4-acetylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

M107-0032 Screening compound: N-(4-acetylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
M107-0032 Screening compound: N-(4-acetylphenyl)-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 M107-0032
N-(4-acetylphenyl)-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

M107-0032

Molecular Formula

C19H21N5O4S (C19 H21 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(CCSc(n1C)nc(C(N2C)=O)c1N(C)C2=O)=O)=O

InChI

InChI=1S/C19H21N5O4S/c1-11(25)12-5-7-13(8-6-12)20-14(26)9-10-29-18-21-15-16(22(18)2)23(3)19(28)24(4)17(15)27/h5-8H,9-10H2,1-4H3,(H,20,26)

InChI Key

WKZGVXVBDHVMGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.724

Distribution Coefficient, logD

1.724

Water Solubility, LogSw

-2.40

Polar Surface Area

81.016

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

M107-0032 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M107-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M107-0032?
Check Price and Availability of M107-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M107-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M107-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M107-0032
  • 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 M107-0032 available by request