K216-0017 Screening compound: 1-(2,4-difluorophenyl)-3-[4-(5-methylthiophen-2-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]urea

K216-0017 Screening compound: 1-(2,4-difluorophenyl)-3-[4-(5-methylthiophen-2-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]urea
K216-0017 Screening compound: 1-(2,4-difluorophenyl)-3-[4-(5-methylthiophen-2-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0017
1-(2,4-difluorophenyl)-3-[4-(5-methylthiophen-2-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]urea

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

K216-0017

Molecular Formula

C22H17F2N5OS (C22 H17 F2 N5 OS)

Compound Name

1-(2,4-difluorophenyl)-3-[4-(5-methylthiophen-2-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]urea

IUPAC name

1-(24-difluorophenyl)-3-[4-(5-methylthiophen-2-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]urea

SMILES

Cc1ccc(-c(nc2NC(Nc(ccc(F)c3)c3F)=O)cn2/N=C/c2ccccc2)s1

InChI

InChI=1S/C22H17F2N5OS/c1-14-7-10-20(31-14)19-13-29(25-12-15-5-3-2-4-6-15)21(26-19)28-22(30)27-18-9-8-16(23)11-17(18)24/h2-13H,1H3,(H2,26,27,28,30)

InChI Key

DPNPXODNEOCKBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.619

Distribution Coefficient, logD

5.619

Water Solubility, LogSw

-5.32

Polar Surface Area

55.206

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

K216-0017 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K216-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0017?
Check Price and Availability of K216-0017, 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 K216-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0017
  • 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 K216-0017 available by request