K691-0139 Screening compound: N-[(2-methoxyphenyl)methyl]-4-[(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide

Chemical Structure Depiction of ChemDiv screening compound K691-0139
N-[(2-methoxyphenyl)methyl]-4-[(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K691-0139

Molecular Formula

C₂₉H₃₀N₂O₆S₂ (C29 H30 N2 O6 S2)

Compound Name

N-[(2-methoxyphenyl)methyl]-4-[(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-4-[(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide

SMILES

COc1c(CNS(c2ccc(Cc(cc3)ccc3S(NCc(cccc3)c3OC)(=O)=O)cc2)(=O)=O)cccc1

InChI

InChI=1S/C29H30N2O6S2/c1-36-28-9-5-3-7-24(28)20-30-38(32,33)26-15-11-22(12-16-26)19-23-13-17-27(18-14-23)39(34,35)31-21-25-8-4-6-10-29(25)37-2/h3-18,30-31H,19-21H2,1-2H3

InChI Key

PZMXPNDBDIHSMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.606

Distribution Coefficient, logD

5.606

Water Solubility, LogSw

-5.69

Polar Surface Area

98.744

Acid Dissociation Constant (pK_a)

10.68

Base Dissociation Constant (pK_b)

-5.00

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

17.20

K691-0139 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:

PPI modulators
Epigenetic
PPI modulators

Structure:

Cyclic compounds

Therapeutical areas:

Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Skin

Targets:

Kinases
Others
Proteases
Kinases

References: we are preparing a list of scientific research reports with K691-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K691-0139?
Check Price and Availability of K691-0139, 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 K691-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K691-0139
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K691-0139

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 K691-0139 available by request