K784-2176 Screening compound: ethyl 3-methyl-2-{N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}butanoate

K784-2176 Screening compound: ethyl 3-methyl-2-{N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}butanoate
K784-2176 Screening compound: ethyl 3-methyl-2-{N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2176
ethyl 3-methyl-2-{N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}butanoate

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

K784-2176

Molecular Formula

C21H26N2O6S (C21 H26 N2 O6 S)

Compound Name

ethyl 3-methyl-2-{N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}butanoate

IUPAC name

ethyl 3-methyl-2-{N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}butanoate

SMILES

CCOC(C(C(C)C)N(Cc1c(C)cccc1)S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O

InChI

InChI=1S/C21H26N2O6S/c1-5-29-21(24)20(15(2)3)22(14-17-9-7-6-8-16(17)4)30(27,28)19-12-10-18(11-13-19)23(25)26/h6-13,15,20H,5,14H2,1-4H3/t20-/m0/s1

InChI Key

MYIRLRDBIMWTTC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03450684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-4.92

Polar Surface Area

85.772

Acid Dissociation Constant (pKa)

18.99

Base Dissociation Constant (pKb)

-7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

K784-2176 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2176?
Check Price and Availability of K784-2176, 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 K784-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2176
  • 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 K784-2176 available by request