SB91-1066 Screening compound: N-[1-(1H-indazol-3-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-N-(2-morpholinoethyl)acetamide

SB91-1066 Screening compound: N-[1-(1H-indazol-3-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-N-(2-morpholinoethyl)acetamide
SB91-1066 Screening compound: N-[1-(1H-indazol-3-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-N-(2-morpholinoethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-1066
N-[1-(1H-indazol-3-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-N-(2-morpholinoethyl)acetamide

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

SB91-1066

Molecular Formula

C20H27N5O3 (C20 H27 N5 O3)

Compound Name

N-[1-(1H-indazol-3-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-N-(2-morpholinoethyl)acetamide

IUPAC name

N-[1-(1H-indazole-3-carbonyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

CC(N(CCN1CCOCC1)C(CC1)CN1C(c1n[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C20H27N5O3/c1-15(26)25(9-8-23-10-12-28-13-11-23)16-6-7-24(14-16)20(27)19-17-4-2-3-5-18(17)21-22-19/h2-5,16H,6-14H2,1H3,(H,21,22)/t16-/m1/s1

InChI Key

MWXKFTALUYOFAB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32250088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.440

Distribution Coefficient, logD

0.407

Water Solubility, LogSw

-1.86

Polar Surface Area

68.034

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SB91-1066 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB91-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-1066?
Check Price and Availability of SB91-1066, 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 SB91-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-1066
  • 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 SB91-1066 available by request