SB46-0706 Screening compound: (5aR,7S,8aR)-N-[2-(ethylanilino)ethyl]-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide

SB46-0706 Screening compound: (5aR,7S,8aR)-N-[2-(ethylanilino)ethyl]-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
SB46-0706 Screening compound: (5aR,7S,8aR)-N-[2-(ethylanilino)ethyl]-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB46-0706
(5aR,7S,8aR)-N-[2-(ethylanilino)ethyl]-2-oxo-N-propyloctahydrocyclopenta[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

SB46-0706

Molecular Formula

C23H35N5O3 (C23 H35 N5 O3)

Compound Name

(5aR,7S,8aR)-N-[2-(ethylanilino)ethyl]-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide

IUPAC name

(5aR7S8aR)-N7-{2-[ethyl(phenyl)amino]ethyl}-2-oxo-N4-propyl-decahydrocyclopenta[e][14]diazepine-47-dicarboxamide

SMILES

CCCNC(N(C[C@H](C[C@H](C1)C(NCCN(CC)c2ccccc2)=O)[C@H]1N1)CC1=O)=O

InChI

InChI=1S/C23H35N5O3/c1-3-10-25-23(31)28-15-18-13-17(14-20(18)26-21(29)16-28)22(30)24-11-12-27(4-2)19-8-6-5-7-9-19/h5-9,17-18,20H,3-4,10-16H2,1-2H3,(H,24,30)(H,25,31)(H,26,29)/t17-,18+,20-/m0/s1

InChI Key

GLEISGARGXZANG-NSHGMRRFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.916

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-2.41

Polar Surface Area

80.382

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.87

SB46-0706 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 SB46-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB46-0706?
Check Price and Availability of SB46-0706, 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 SB46-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB46-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB46-0706
  • 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 SB46-0706 available by request