K935-0019 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(furan-2-yl)formamido]-3-methylbutanoate

K935-0019 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(furan-2-yl)formamido]-3-methylbutanoate
K935-0019 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(furan-2-yl)formamido]-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K935-0019
2-(4-chlorophenyl)-2-oxoethyl 2-[(furan-2-yl)formamido]-3-methylbutanoate

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

K935-0019

Molecular Formula

C18H18ClNO5 (C18 H18 ClNO5)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 2-[(furan-2-yl)formamido]-3-methylbutanoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 2-[(furan-2-yl)formamido]-3-methylbutanoate

SMILES

CC(C)C(C(OCC(c(cc1)ccc1Cl)=O)=O)NC(c1ccco1)=O

InChI

InChI=1S/C18H18ClNO5/c1-11(2)16(20-17(22)15-4-3-9-24-15)18(23)25-10-14(21)12-5-7-13(19)8-6-12/h3-9,11,16H,10H2,1-2H3,(H,20,22)/t16-/m0/s1

InChI Key

JNHMWZDDHFVHCH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03020464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.73

Polar Surface Area

66.958

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

K935-0019 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 K935-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K935-0019?
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What is the minimum amount of K935-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K935-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K935-0019
  • 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 K935-0019 available by request