S812-4159 Screening compound: 1,5-dimethyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1H-pyrazole

S812-4159 Screening compound: 1,5-dimethyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1H-pyrazole
S812-4159 Screening compound: 1,5-dimethyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-4159
1,5-dimethyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1H-pyrazole

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

S812-4159

Molecular Formula

C19H21N5O (C19 H21 N5 O)

Compound Name

1,5-dimethyl-3-{9-phenyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1H-pyrazole

IUPAC name

15-dimethyl-3-{9-phenyl-5H6H7H8H9H-imidazo[12-a][14]diazepine-8-carbonyl}-1H-pyrazole

SMILES

Cc1cc(C(N(CCCn2c3ncc2)C3c2ccccc2)=O)nn1C

InChI

InChI=1S/C19H21N5O/c1-14-13-16(21-22(14)2)19(25)24-11-6-10-23-12-9-20-18(23)17(24)15-7-4-3-5-8-15/h3-5,7-9,12-13,17H,6,10-11H2,1-2H3/t17-/m1/s1

InChI Key

LTIIBBDDXFFOIT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD30460374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.695

Water Solubility, LogSw

-1.79

Polar Surface Area

43.189

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

S812-4159 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S812-4159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-4159?
Check Price and Availability of S812-4159, 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 S812-4159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-4159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-4159
  • 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 S812-4159 available by request