S812-0393 Screening compound: 4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-3,5-dimethyl-1,2-oxazole

S812-0393 Screening compound: 4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-3,5-dimethyl-1,2-oxazole
S812-0393 Screening compound: 4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-3,5-dimethyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-0393
4-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-3,5-dimethyl-1,2-oxazole

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

S812-0393

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

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

IUPAC name

4-{9-cyclopentyl-5H6H7H8H9H-imidazo[12-a][14]diazepine-8-carbonyl}-35-dimethyl-12-oxazole

SMILES

Cc1noc(C)c1C(N1C(C2CCCC2)c2nccn2CCC1)=O

InChI

InChI=1S/C18H24N4O2/c1-12-15(13(2)24-20-12)18(23)22-10-5-9-21-11-8-19-17(21)16(22)14-6-3-4-7-14/h8,11,14,16H,3-7,9-10H2,1-2H3/t16-/m0/s1

InChI Key

IINLWMXINISAKG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30465894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

1.707

Water Solubility, LogSw

-1.70

Polar Surface Area

51.299

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S812-0393 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S812-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-0393?
Check Price and Availability of S812-0393, 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 S812-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-0393
  • 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 S812-0393 available by request