E851-1853 Screening compound: N~3~-[3-(propylsulfanyl)propyl]-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide

E851-1853 Screening compound: N~3~-[3-(propylsulfanyl)propyl]-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
E851-1853 Screening compound: N~3~-[3-(propylsulfanyl)propyl]-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E851-1853
N~3~-[3-(propylsulfanyl)propyl]-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

E851-1853

Molecular Formula

C19H28N4OS (C19 H28 N4 OS)

Compound Name

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

IUPAC name

N-[3-(propylsulfanyl)propyl]-237-triazatricyclo[7.6.0.0^{26}]pentadeca-1(9)357-tetraene-5-carboxamide

SMILES

CCCSCCCNC(c1c2ncc(CCCCCC3)c3n2nc1)=O

InChI

InChI=1S/C19H28N4OS/c1-2-11-25-12-7-10-20-19(24)16-14-22-23-17-9-6-4-3-5-8-15(17)13-21-18(16)23/h13-14H,2-12H2,1H3,(H,20,24)

InChI Key

HMTCEGBCMQHVEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-3.76

Polar Surface Area

47.259

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

E851-1853 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E851-1853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E851-1853?
Check Price and Availability of E851-1853, 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 E851-1853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E851-1853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E851-1853
  • 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 E851-1853 available by request