E002-0875 Screening compound: 2-(4-fluorophenyl)-3-[(4-methylcyclohexyl)amino]-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile

E002-0875 Screening compound: 2-(4-fluorophenyl)-3-[(4-methylcyclohexyl)amino]-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile
E002-0875 Screening compound: 2-(4-fluorophenyl)-3-[(4-methylcyclohexyl)amino]-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0875
2-(4-fluorophenyl)-3-[(4-methylcyclohexyl)amino]-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

E002-0875

Molecular Formula

C19H20FN5 (C19 H20 FN5)

Compound Name

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

IUPAC name

2-(4-fluorophenyl)-3-[(4-methylcyclohexyl)amino]-1H-pyrazolo[15-a]imidazole-7-carbonitrile

SMILES

CC(CC1)CCC1Nc(n1nc2)c(-c(cc3)ccc3F)[nH]c1c2C#N

InChI

InChI=1S/C19H20FN5/c1-12-2-8-16(9-3-12)23-19-17(13-4-6-15(20)7-5-13)24-18-14(10-21)11-22-25(18)19/h4-7,11-12,16,23-24H,2-3,8-9H2,1H3

InChI Key

MGXDLHGWLBRMBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.32

Polar Surface Area

48.391

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E002-0875 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E002-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0875?
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What is the minimum amount of E002-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0875
  • 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 E002-0875 available by request