SB95-1233 Screening compound: 3-[(cyclopropylcarbonyl)(2-morpholinoethyl)amino]-N-(2,5-difluorophenyl)tetrahydro-1(2H)-pyridinecarboxamide

SB95-1233 Screening compound: 3-[(cyclopropylcarbonyl)(2-morpholinoethyl)amino]-N-(2,5-difluorophenyl)tetrahydro-1(2H)-pyridinecarboxamide
SB95-1233 Screening compound: 3-[(cyclopropylcarbonyl)(2-morpholinoethyl)amino]-N-(2,5-difluorophenyl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-1233
3-[(cyclopropylcarbonyl)(2-morpholinoethyl)amino]-N-(2,5-difluorophenyl)tetrahydro-1(2H)-pyridinecarboxamide

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

SB95-1233

Molecular Formula

C22H30F2N4O3 (C22 H30 F2 N4 O3)

Compound Name

3-[(cyclopropylcarbonyl)(2-morpholinoethyl)amino]-N-(2,5-difluorophenyl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(25-difluorophenyl)-3-{N-[2-(morpholin-4-yl)ethyl]cyclopropaneamido}piperidine-1-carboxamide

SMILES

O=C(C1CC1)N(CCN1CCOCC1)C(CCC1)CN1C(Nc(cc(cc1)F)c1F)=O

InChI

InChI=1S/C22H30F2N4O3/c23-17-5-6-19(24)20(14-17)25-22(30)27-7-1-2-18(15-27)28(21(29)16-3-4-16)9-8-26-10-12-31-13-11-26/h5-6,14,16,18H,1-4,7-13,15H2,(H,25,30)/t18-/m0/s1

InChI Key

ABSUBTFKNHMSPA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32251282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.359

Water Solubility, LogSw

-2.92

Polar Surface Area

52.328

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

SB95-1233 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB95-1233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-1233?
Check Price and Availability of SB95-1233, 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 SB95-1233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-1233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-1233
  • 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 SB95-1233 available by request