S812-2800 Screening compound: 3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-[9-ETHYL-6,7-DIHYDRO-5H-IMIDAZO[1,2-A][1,4]DIAZEPIN-8(9H)-YL]-1-PROPANONE

S812-2800 Screening compound: 3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-[9-ETHYL-6,7-DIHYDRO-5H-IMIDAZO[1,2-A][1,4]DIAZEPIN-8(9H)-YL]-1-PROPANONE
S812-2800 Screening compound: 3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-[9-ETHYL-6,7-DIHYDRO-5H-IMIDAZO[1,2-A][1,4]DIAZEPIN-8(9H)-YL]-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-2800
3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-[9-ETHYL-6,7-DIHYDRO-5H-IMIDAZO[1,2-A][1,4]DIAZEPIN-8(9H)-YL]-1-PROPANONE

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

S812-2800

Molecular Formula

C17H25N5O (C17 H25 N5 O)

Compound Name

3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-[9-ETHYL-6,7-DIHYDRO-5H-IMIDAZO[1,2-A][1,4]DIAZEPIN-8(9H)-YL]-1-PROPANONE

IUPAC name

n/a

SMILES

CCC(c1nccn1CCC1)N1C(CCn1nc(C)cc1C)=O

InChI

InChI=1S/C17H25N5O/c1-4-15-17-18-7-11-20(17)8-5-9-21(15)16(23)6-10-22-14(3)12-13(2)19-22/h7,11-12,15H,4-6,8-10H2,1-3H3/t15-/m0/s1

InChI Key

ONHSQMHOBCFRPG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30460330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.760

Distribution Coefficient, logD

0.725

Water Solubility, LogSw

-1.01

Polar Surface Area

42.385

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

References: we are preparing a list of scientific research reports with S812-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-2800?
Check Price and Availability of S812-2800, 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 S812-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-2800
  • 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 S812-2800 available by request