SB96-0177 Screening compound: N-{1-[2-(3-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]acetamide

SB96-0177 Screening compound: N-{1-[2-(3-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]acetamide
SB96-0177 Screening compound: N-{1-[2-(3-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB96-0177
N-{1-[2-(3-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]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

SB96-0177

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

N-{1-[2-(3-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]acetamide

IUPAC name

N-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]acetamide

SMILES

CC(N(CCn1c(C)ncc1)C(CC1)CN1C(Cc1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C21H28N4O3/c1-16-22-8-10-23(16)11-12-25(17(2)26)19-7-9-24(15-19)21(27)14-18-5-4-6-20(13-18)28-3/h4-6,8,10,13,19H,7,9,11-12,14-15H2,1-3H3/t19-/m1/s1

InChI Key

DUZMJFCCUGIKDP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32251537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.978

Distribution Coefficient, logD

0.070

Water Solubility, LogSw

-1.63

Polar Surface Area

52.449

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SB96-0177 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 SB96-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB96-0177?
Check Price and Availability of SB96-0177, 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 SB96-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB96-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB96-0177
  • 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 SB96-0177 available by request