M916-0137 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide

M916-0137 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide
M916-0137 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M916-0137
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]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

M916-0137

Molecular Formula

C19H21N5O7S (C19 H21 N5 O7 S)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-[(139-trimethyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide

SMILES

Cn1c(S(CCC(Nc(cc2)cc3c2OCCO3)=O)(=O)=O)nc(C(N2C)=O)c1N(C)C2=O

InChI

InChI=1S/C19H21N5O7S/c1-22-16-15(17(26)24(3)19(27)23(16)2)21-18(22)32(28,29)9-6-14(25)20-11-4-5-12-13(10-11)31-8-7-30-12/h4-5,10H,6-9H2,1-3H3,(H,20,25)

InChI Key

YZEOZKOPJCAEHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.167

Distribution Coefficient, logD

-0.167

Water Solubility, LogSw

-2.33

Polar Surface Area

112.420

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M916-0137 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M916-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M916-0137?
Check Price and Availability of M916-0137, 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 M916-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M916-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M916-0137
  • 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 M916-0137 available by request