M461-8150 Screening compound: methyl 3-[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-amido]benzoate

M461-8150 Screening compound: methyl 3-[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-amido]benzoate
M461-8150 Screening compound: methyl 3-[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-8150
methyl 3-[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-amido]benzoate

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

M461-8150

Molecular Formula

C20H26N4O5S (C20 H26 N4 O5 S)

Compound Name

methyl 3-[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-amido]benzoate

IUPAC name

methyl 3-[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-amido]benzoate

SMILES

CCn(cc1C(Nc2cc(C(OC)=O)ccc2)=O)nc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C20H26N4O5S/c1-3-23-14-17(18(25)21-16-10-8-9-15(13-16)20(26)29-2)19(22-23)30(27,28)24-11-6-4-5-7-12-24/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,21,25)

InChI Key

KIIFVNPUKLAKJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-3.45

Polar Surface Area

91.369

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with M461-8150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-8150?
Check Price and Availability of M461-8150, 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 M461-8150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-8150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-8150
  • 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 M461-8150 available by request