S812-2521 Screening compound: 5-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1-methyl-1H-imidazole

S812-2521 Screening compound: 5-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1-methyl-1H-imidazole
S812-2521 Screening compound: 5-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1-methyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-2521
5-{9-cyclopentyl-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carbonyl}-1-methyl-1H-imidazole

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

S812-2521

Molecular Formula

C17H23N5O (C17 H23 N5 O)

Compound Name

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

IUPAC name

5-{9-cyclopentyl-5H6H7H8H9H-imidazo[12-a][14]diazepine-8-carbonyl}-1-methyl-1H-imidazole

SMILES

Cn1c(C(N2C(C3CCCC3)c3nccn3CCC2)=O)cnc1

InChI

InChI=1S/C17H23N5O/c1-20-12-18-11-14(20)17(23)22-9-4-8-21-10-7-19-16(21)15(22)13-5-2-3-6-13/h7,10-13,15H,2-6,8-9H2,1H3/t15-/m0/s1

InChI Key

XQCPSVWWHSQHSS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30465884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

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

0.995

Distribution Coefficient, logD

0.948

Water Solubility, LogSw

-1.08

Polar Surface Area

40.507

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S812-2521 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S812-2521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-2521?
Check Price and Availability of S812-2521, 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 S812-2521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-2521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-2521
  • 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 S812-2521 available by request