S812-3809 Screening compound: 1-{2-[9-isopropyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-2-oxoethyl}-2-pyrrolidinone

S812-3809 Screening compound: 1-{2-[9-isopropyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-2-oxoethyl}-2-pyrrolidinone
S812-3809 Screening compound: 1-{2-[9-isopropyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-2-oxoethyl}-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound S812-3809
1-{2-[9-isopropyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-2-oxoethyl}-2-pyrrolidinone

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

S812-3809

Molecular Formula

C16H24N4O2 (C16 H24 N4 O2)

Compound Name

1-{2-[9-isopropyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-2-oxoethyl}-2-pyrrolidinone

IUPAC name

1-{2-oxo-2-[9-(propan-2-yl)-5H6H7H8H9H-imidazo[12-a][14]diazepin-8-yl]ethyl}pyrrolidin-2-one

SMILES

CC(C)C(c1nccn1CCC1)N1C(CN(CCC1)C1=O)=O

InChI

InChI=1S/C16H24N4O2/c1-12(2)15-16-17-6-10-18(16)8-4-9-20(15)14(22)11-19-7-3-5-13(19)21/h6,10,12,15H,3-5,7-9,11H2,1-2H3/t15-/m0/s1

InChI Key

AETAVHNBDCXZKI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30460357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

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

0.082

Distribution Coefficient, logD

-0.109

Water Solubility, LogSw

-0.60

Polar Surface Area

45.981

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S812-3809 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 S812-3809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S812-3809?
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What is the minimum amount of S812-3809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S812-3809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S812-3809
  • 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 S812-3809 available by request