E002-1094 Screening compound: 3-[(2,3-dimethylcyclohexyl)amino]-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile

E002-1094 Screening compound: 3-[(2,3-dimethylcyclohexyl)amino]-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile
E002-1094 Screening compound: 3-[(2,3-dimethylcyclohexyl)amino]-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1094
3-[(2,3-dimethylcyclohexyl)amino]-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile

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

E002-1094

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

3-[(2,3-dimethylcyclohexyl)amino]-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile

IUPAC name

3-[(23-dimethylcyclohexyl)amino]-2-(4-methoxyphenyl)-1H-pyrazolo[15-a]imidazole-7-carbonitrile

SMILES

CC(CCC1)C(C)C1Nc(n1nc2)c(-c(cc3)ccc3OC)[nH]c1c2C#N

InChI

InChI=1S/C21H25N5O/c1-13-5-4-6-18(14(13)2)24-21-19(15-7-9-17(27-3)10-8-15)25-20-16(11-22)12-23-26(20)21/h7-10,12-14,18,24-25H,4-6H2,1-3H3

InChI Key

VTZBMHBSLGIRGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-3.97

Polar Surface Area

56.325

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

E002-1094 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • 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 E002-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1094?
Check Price and Availability of E002-1094, 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 E002-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1094
  • 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 E002-1094 available by request