S812-2545 Screening compound: 2-ethoxy-1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-1-ethanone

S812-2545 Screening compound: 2-ethoxy-1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-1-ethanone
S812-2545 Screening compound: 2-ethoxy-1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-2545
2-ethoxy-1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-1-ethanone

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

S812-2545

Molecular Formula

C13H21N3O2 (C13 H21 N3 O2)

Compound Name

2-ethoxy-1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-1-ethanone

IUPAC name

2-ethoxy-1-{9-ethyl-5H6H7H8H9H-imidazo[12-a][14]diazepin-8-yl}ethan-1-one

SMILES

CCC(c1nccn1CCC1)N1C(COCC)=O

InChI

InChI=1S/C13H21N3O2/c1-3-11-13-14-6-9-15(13)7-5-8-16(11)12(17)10-18-4-2/h6,9,11H,3-5,7-8,10H2,1-2H3/t11-/m0/s1

InChI Key

WOXHFTYKKCMWEE-NSHDSACASA-N

MDL Number (MFCD)

MFCD30460321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.805

Distribution Coefficient, logD

0.779

Water Solubility, LogSw

-0.77

Polar Surface Area

36.730

Acid Dissociation Constant (pKa)

22.11

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.23

References: we are preparing a list of scientific research reports with S812-2545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-2545?
Check Price and Availability of S812-2545, 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 S812-2545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-2545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-2545
  • 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 S812-2545 available by request