S812-0051 Screening compound: (3,5-dimethyl-4-isoxazolyl)[9-propyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]methanone

S812-0051 Screening compound: (3,5-dimethyl-4-isoxazolyl)[9-propyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]methanone
S812-0051 Screening compound: (3,5-dimethyl-4-isoxazolyl)[9-propyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-0051
(3,5-dimethyl-4-isoxazolyl)[9-propyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]methanone

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

S812-0051

Molecular Formula

C16H22N4O2 (C16 H22 N4 O2)

Compound Name

(3,5-dimethyl-4-isoxazolyl)[9-propyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]methanone

IUPAC name

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

SMILES

CCCC(c1nccn1CCC1)N1C(c1c(C)onc1C)=O

InChI

InChI=1S/C16H22N4O2/c1-4-6-13-15-17-7-10-19(15)8-5-9-20(13)16(21)14-11(2)18-22-12(14)3/h7,10,13H,4-6,8-9H2,1-3H3/t13-/m0/s1

InChI Key

MSHIFLKTWAUQPS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30460289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.603

Water Solubility, LogSw

-1.42

Polar Surface Area

50.965

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S812-0051 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 S812-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-0051?
Check Price and Availability of S812-0051, 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 S812-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-0051
  • 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 S812-0051 available by request