K935-0042 Screening compound: 2-(4-methylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

K935-0042 Screening compound: 2-(4-methylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate
K935-0042 Screening compound: 2-(4-methylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K935-0042
2-(4-methylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

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

K935-0042

Molecular Formula

C27H23BrN2O4 (C27 H23 BrN2 O4)

Compound Name

2-(4-methylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

2-(4-methylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

Cc(cc1)ccc1C(COC(C(Cc1c[nH]c2c1cccc2)NC(c(cc1)ccc1Br)=O)=O)=O

InChI

InChI=1S/C27H23BrN2O4/c1-17-6-8-18(9-7-17)25(31)16-34-27(33)24(30-26(32)19-10-12-21(28)13-11-19)14-20-15-29-23-5-3-2-4-22(20)23/h2-13,15,24,29H,14,16H2,1H3,(H,30,32)/t24-/m0/s1

InChI Key

UPLOOXVHNSOWCH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15114621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.170

Distribution Coefficient, logD

5.170

Water Solubility, LogSw

-5.27

Polar Surface Area

68.258

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

K935-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K935-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K935-0042?
Check Price and Availability of K935-0042, 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 K935-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K935-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K935-0042
  • 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 K935-0042 available by request