SD56-0399 Screening compound: 8-(3-cyclopentenylcarbonyl)-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

SD56-0399 Screening compound: 8-(3-cyclopentenylcarbonyl)-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
SD56-0399 Screening compound: 8-(3-cyclopentenylcarbonyl)-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD56-0399
8-(3-cyclopentenylcarbonyl)-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

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

SD56-0399

Molecular Formula

C19H21N3O3 (C19 H21 N3 O3)

Compound Name

8-(3-cyclopentenylcarbonyl)-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

IUPAC name

8-(cyclopent-3-ene-1-carbonyl)-2-phenyl-octahydro-1H-imidazo[15-a][14]diazepine-13-dione

SMILES

O=C(C1CC=CC1)N(CCC1)CC(C(N2c3ccccc3)=O)N1C2=O

InChI

InChI=1S/C19H21N3O3/c23-17(14-7-4-5-8-14)20-11-6-12-21-16(13-20)18(24)22(19(21)25)15-9-2-1-3-10-15/h1-5,9-10,14,16H,6-8,11-13H2/t16-/m1/s1

InChI Key

GLLDPGVKZCUOQE-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.438

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-1.64

Polar Surface Area

49.624

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.11

SD56-0399 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD56-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD56-0399?
Check Price and Availability of SD56-0399, 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 SD56-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD56-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD56-0399
  • 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 SD56-0399 available by request