M916-0031 Screening compound: N-(5-chloro-2-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide

M916-0031 Screening compound: N-(5-chloro-2-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfonyl]propanamide
M916-0031 Screening compound: N-(5-chloro-2-methoxyphenyl)-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 M916-0031
N-(5-chloro-2-methoxyphenyl)-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

M916-0031

Molecular Formula

C18H20ClN5O6S (C18 H20 ClN5 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H20ClN5O6S/c1-22-15-14(16(26)24(3)18(27)23(15)2)21-17(22)31(28,29)8-7-13(25)20-11-9-10(19)5-6-12(11)30-4/h5-6,9H,7-8H2,1-4H3,(H,20,25)

InChI Key

VGMKSYVWDXYSOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27556562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.91

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.114

Distribution Coefficient, logD

1.109

Water Solubility, LogSw

-2.86

Polar Surface Area

103.529

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M916-0031 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 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 M916-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M916-0031?
Check Price and Availability of M916-0031, 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 M916-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M916-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M916-0031
  • 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 M916-0031 available by request