S812-3706 Screening compound: [9-cyclopentyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl](3-methyl-4-isoxazolyl)methanone

S812-3706 Screening compound: [9-cyclopentyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl](3-methyl-4-isoxazolyl)methanone
S812-3706 Screening compound: [9-cyclopentyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl](3-methyl-4-isoxazolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-3706
[9-cyclopentyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl](3-methyl-4-isoxazolyl)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

S812-3706

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1nocc1C(N1C(C2CCCC2)c2nccn2CCC1)=O

InChI

InChI=1S/C17H22N4O2/c1-12-14(11-23-19-12)17(22)21-9-4-8-20-10-7-18-16(20)15(21)13-5-2-3-6-13/h7,10-11,13,15H,2-6,8-9H2,1H3/t15-/m0/s1

InChI Key

DMTNEOCSIWMBNP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30465730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

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

1.650

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-1.90

Polar Surface Area

53.339

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S812-3706 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S812-3706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-3706?
Check Price and Availability of S812-3706, 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 S812-3706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-3706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-3706
  • 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 S812-3706 available by request