M916-0161 Screening compound: N-(5-fluoro-2-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide

M916-0161 Screening compound: N-(5-fluoro-2-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide
M916-0161 Screening compound: N-(5-fluoro-2-methylphenyl)-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 M916-0161
N-(5-fluoro-2-methylphenyl)-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

M916-0161

Molecular Formula

C18H20FN5O5S (C18 H20 FN5 O5 S)

Compound Name

N-(5-fluoro-2-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide

IUPAC name

N-(5-fluoro-2-methylphenyl)-3-[(139-trimethyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide

SMILES

Cc(ccc(F)c1)c1NC(CCS(c(n1C)nc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C18H20FN5O5S/c1-10-5-6-11(19)9-12(10)20-13(25)7-8-30(28,29)17-21-14-15(22(17)2)23(3)18(27)24(4)16(14)26/h5-6,9H,7-8H2,1-4H3,(H,20,25)

InChI Key

YSBFXUDUOKQBQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.783

Distribution Coefficient, logD

0.783

Water Solubility, LogSw

-2.40

Polar Surface Area

95.899

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M916-0161 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M916-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M916-0161?
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What is the minimum amount of M916-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M916-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M916-0161
  • 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 M916-0161 available by request