SB91-1481 Screening compound: N-{1-[2-(4-methylphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide

SB91-1481 Screening compound: N-{1-[2-(4-methylphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide
SB91-1481 Screening compound: N-{1-[2-(4-methylphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-1481
N-{1-[2-(4-methylphenyl)acetyl]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

SB91-1481

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

N-{1-[2-(4-methylphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide

IUPAC name

N-{1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

CC(N(CCN1CCOCC1)C(CC1)CN1C(Cc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C21H31N3O3/c1-17-3-5-19(6-4-17)15-21(26)23-8-7-20(16-23)24(18(2)25)10-9-22-11-13-27-14-12-22/h3-6,20H,7-16H2,1-2H3/t20-/m1/s1

InChI Key

XTIUAFSZXBDXKH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32250169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.152

Distribution Coefficient, logD

1.119

Water Solubility, LogSw

-1.62

Polar Surface Area

44.260

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SB91-1481 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB91-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-1481?
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What is the minimum amount of SB91-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-1481
  • 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 SB91-1481 available by request