SB91-0173 Screening compound: 3-[2-(morpholin-4-yl)ethyl]-3-(pyrrolidin-3-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea

SB91-0173 Screening compound: 3-[2-(morpholin-4-yl)ethyl]-3-(pyrrolidin-3-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
SB91-0173 Screening compound: 3-[2-(morpholin-4-yl)ethyl]-3-(pyrrolidin-3-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0173
3-[2-(morpholin-4-yl)ethyl]-3-(pyrrolidin-3-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea

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

SB91-0173

Molecular Formula

C19H27F3N4O3 (C19 H27 F3 N4 O3)

Compound Name

3-[2-(morpholin-4-yl)ethyl]-3-(pyrrolidin-3-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea

IUPAC name

3-[2-(morpholin-4-yl)ethyl]-3-(pyrrolidin-3-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea

SMILES

O=C(NCc(cc1)ccc1OC(F)(F)F)N(CCN1CCOCC1)C1CNCC1

InChI

InChI=1S/C19H27F3N4O3/c20-19(21,22)29-17-3-1-15(2-4-17)13-24-18(27)26(16-5-6-23-14-16)8-7-25-9-11-28-12-10-25/h1-4,16,23H,5-14H2,(H,24,27)/t16-/m0/s1

InChI Key

UQGCUWHNNIKHAV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32250292

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.746

Distribution Coefficient, logD

-2.657

Water Solubility, LogSw

-2.00

Polar Surface Area

55.629

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

11.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SB91-0173 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SB91-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0173?
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What is the minimum amount of SB91-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0173
  • 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 SB91-0173 available by request