S033-1834 Screening compound: METHYL 4-({6-METHANESULFONAMIDO-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBONYL}AMINO)BENZOATE

S033-1834 Screening compound: METHYL 4-({6-METHANESULFONAMIDO-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBONYL}AMINO)BENZOATE
S033-1834 Screening compound: METHYL 4-({6-METHANESULFONAMIDO-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBONYL}AMINO)BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1834
METHYL 4-({6-METHANESULFONAMIDO-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBONYL}AMINO)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

S033-1834

Molecular Formula

C16H21N3O5S (C16 H21 N3 O5 S)

Compound Name

METHYL 4-({6-METHANESULFONAMIDO-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBONYL}AMINO)BENZOATE

IUPAC name

n/a

SMILES

COC(c(cc1)ccc1NC(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NS(C)(=O)=O)=O)=O

InChI

InChI=1S/C16H21N3O5S/c1-24-15(20)11-3-5-12(6-4-11)17-16(21)19-9-10-7-13(14(19)8-10)18-25(2,22)23/h3-6,10,13-14,18H,7-9H2,1-2H3,(H,17,21)/t10-,13+,14-/m0/s1

InChI Key

OOWOPNKINJTSHR-GDLCADMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.522

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-2.35

Polar Surface Area

89.869

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

S033-1834 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S033-1834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1834?
Check Price and Availability of S033-1834, 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 S033-1834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1834
  • 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 S033-1834 available by request