M916-0066 Screening compound: N-[(4-methylphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide

M916-0066 Screening compound: N-[(4-methylphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide
M916-0066 Screening compound: N-[(4-methylphenyl)methyl]-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 M916-0066
N-[(4-methylphenyl)methyl]-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

M916-0066

Molecular Formula

C19H23N5O5S (C19 H23 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CCS(c(n2C)nc(C(N3C)=O)c2N(C)C3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C19H23N5O5S/c1-12-5-7-13(8-6-12)11-20-14(25)9-10-30(28,29)18-21-15-16(22(18)2)23(3)19(27)24(4)17(15)26/h5-8H,9-11H2,1-4H3,(H,20,25)

InChI Key

CFOKTYXAGLSAHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.984

Distribution Coefficient, logD

0.984

Water Solubility, LogSw

-2.26

Polar Surface Area

97.919

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M916-0066 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M916-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M916-0066?
Check Price and Availability of M916-0066, 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 M916-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M916-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M916-0066
  • 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 M916-0066 available by request