K216-0007 Screening compound: 3-[4-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]-1-phenylurea

K216-0007 Screening compound: 3-[4-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]-1-phenylurea
K216-0007 Screening compound: 3-[4-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0007
3-[4-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]-1-phenylurea

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

K216-0007

Molecular Formula

C32H35N5O (C32 H35 N5 O)

Compound Name

3-[4-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]-1-phenylurea

IUPAC name

3-[4-(6-tert-butyl-11-dimethyl-23-dihydro-1H-inden-4-yl)-1-[(E)-(phenylmethylidene)amino]-1H-imidazol-2-yl]-1-phenylurea

SMILES

CC(C)(C)c1cc(-c(nc2NC(Nc3ccccc3)=O)cn2/N=C/c2ccccc2)c(CCC2(C)C)c2c1

InChI

InChI=1S/C32H35N5O/c1-31(2,3)23-18-26(25-16-17-32(4,5)27(25)19-23)28-21-37(33-20-22-12-8-6-9-13-22)29(35-28)36-30(38)34-24-14-10-7-11-15-24/h6-15,18-21H,16-17H2,1-5H3,(H2,34,35,36,38)

InChI Key

SHBPHJQMALZLBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.475

Distribution Coefficient, logD

8.475

Water Solubility, LogSw

-5.60

Polar Surface Area

55.172

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

K216-0007 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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

References: we are preparing a list of scientific research reports with K216-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0007?
Check Price and Availability of K216-0007, 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 K216-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0007
  • 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 K216-0007 available by request