SB46-0674 Screening compound: (5aR,7S,8aR)-N-benzyl-N-cyclobutyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide

SB46-0674 Screening compound: (5aR,7S,8aR)-N-benzyl-N-cyclobutyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
SB46-0674 Screening compound: (5aR,7S,8aR)-N-benzyl-N-cyclobutyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB46-0674
(5aR,7S,8aR)-N-benzyl-N-cyclobutyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide

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

SB46-0674

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

(5aR,7S,8aR)-N-benzyl-N-cyclobutyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide

IUPAC name

(5aR7S8aR)-N4-benzyl-N7-cyclobutyl-2-oxo-decahydrocyclopenta[e][14]diazepine-47-dicarboxamide

SMILES

O=C([C@H](C[C@H]1CN(C2)C(NCc3ccccc3)=O)C[C@@H]1NC2=O)NC1CCC1

InChI

InChI=1S/C21H28N4O3/c26-19-13-25(21(28)22-11-14-5-2-1-3-6-14)12-16-9-15(10-18(16)24-19)20(27)23-17-7-4-8-17/h1-3,5-6,15-18H,4,7-13H2,(H,22,28)(H,23,27)(H,24,26)/t15-,16+,18-/m0/s1

InChI Key

CGQFMWQZSADNAC-JZXOWHBKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.892

Distribution Coefficient, logD

0.892

Water Solubility, LogSw

-1.77

Polar Surface Area

77.494

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.14

SB46-0674 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB46-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB46-0674?
Check Price and Availability of SB46-0674, 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 SB46-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB46-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB46-0674
  • 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 SB46-0674 available by request