E851-1752 Screening compound: N~3~-(2,3-dimethylcyclohexyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide

E851-1752 Screening compound: N~3~-(2,3-dimethylcyclohexyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
E851-1752 Screening compound: N~3~-(2,3-dimethylcyclohexyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E851-1752
N~3~-(2,3-dimethylcyclohexyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide

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

E851-1752

Molecular Formula

C21H30N4O (C21 H30 N4 O)

Compound Name

N~3~-(2,3-dimethylcyclohexyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-(23-dimethylcyclohexyl)-237-triazatricyclo[7.6.0.0^{26}]pentadeca-1(9)357-tetraene-5-carboxamide

SMILES

CC(CCC1)C(C)C1NC(c1c2ncc(CCCCCC3)c3n2nc1)=O

InChI

InChI=1S/C21H30N4O/c1-14-8-7-10-18(15(14)2)24-21(26)17-13-23-25-19-11-6-4-3-5-9-16(19)12-22-20(17)25/h12-15,18H,3-11H2,1-2H3,(H,24,26)

InChI Key

HPGRZBXVBNGLIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.15

Polar Surface Area

47.261

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

E851-1752 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E851-1752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E851-1752?
Check Price and Availability of E851-1752, 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 E851-1752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E851-1752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E851-1752
  • 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 E851-1752 available by request