3773-2049 Screening compound: {2-hydroxy-3-[N-(2-methoxy-5-nitrophenyl)4-methylbenzenesulfonamido]propyl}bis(2-methylpropyl)amine

3773-2049 Screening compound: {2-hydroxy-3-[N-(2-methoxy-5-nitrophenyl)4-methylbenzenesulfonamido]propyl}bis(2-methylpropyl)amine
3773-2049 Screening compound: {2-hydroxy-3-[N-(2-methoxy-5-nitrophenyl)4-methylbenzenesulfonamido]propyl}bis(2-methylpropyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3773-2049
{2-hydroxy-3-[N-(2-methoxy-5-nitrophenyl)4-methylbenzenesulfonamido]propyl}bis(2-methylpropyl)amine

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

3773-2049

Molecular Formula

C25H37N3O6S (C25 H37 N3 O6 S)

Compound Name

{2-hydroxy-3-[N-(2-methoxy-5-nitrophenyl)4-methylbenzenesulfonamido]propyl}bis(2-methylpropyl)amine

IUPAC name

{2-hydroxy-3-[N-(2-methoxy-5-nitrophenyl)4-methylbenzenesulfonamido]propyl}bis(2-methylpropyl)amine

SMILES

CC(C)CN(CC(C)C)CC(CN(c(cc(cc1)[N+]([O-])=O)c1OC)S(c1ccc(C)cc1)(=O)=O)O

InChI

InChI=1S/C25H37N3O6S/c1-18(2)14-26(15-19(3)4)16-22(29)17-27(35(32,33)23-10-7-20(5)8-11-23)24-13-21(28(30)31)9-12-25(24)34-6/h7-13,18-19,22,29H,14-17H2,1-6H3/t22-/m0/s1

InChI Key

NYDMYCZHVOSNEC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01408335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.916

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.67

Polar Surface Area

93.378

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

3773-2049 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3773-2049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3773-2049?
Check Price and Availability of 3773-2049, 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 3773-2049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3773-2049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3773-2049
  • 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 3773-2049 available by request