SB95-1169 Screening compound: N-{1-[(6-methoxy-3-pyridyl)carbonyl]-3-piperidyl}-N-(2-morpholinoethyl)-1-cyclopropanecarboxamide

SB95-1169 Screening compound: N-{1-[(6-methoxy-3-pyridyl)carbonyl]-3-piperidyl}-N-(2-morpholinoethyl)-1-cyclopropanecarboxamide
SB95-1169 Screening compound: N-{1-[(6-methoxy-3-pyridyl)carbonyl]-3-piperidyl}-N-(2-morpholinoethyl)-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-1169
N-{1-[(6-methoxy-3-pyridyl)carbonyl]-3-piperidyl}-N-(2-morpholinoethyl)-1-cyclopropanecarboxamide

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

SB95-1169

Molecular Formula

C22H32N4O4 (C22 H32 N4 O4)

Compound Name

N-{1-[(6-methoxy-3-pyridyl)carbonyl]-3-piperidyl}-N-(2-morpholinoethyl)-1-cyclopropanecarboxamide

IUPAC name

N-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]cyclopropanecarboxamide

SMILES

COc(cc1)ncc1C(N(CCC1)CC1N(CCN1CCOCC1)C(C1CC1)=O)=O

InChI

InChI=1S/C22H32N4O4/c1-29-20-7-6-18(15-23-20)21(27)25-8-2-3-19(16-25)26(22(28)17-4-5-17)10-9-24-11-13-30-14-12-24/h6-7,15,17,19H,2-5,8-14,16H2,1H3/t19-/m0/s1

InChI Key

WAOPSWJRGKDUBD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32252599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.911

Distribution Coefficient, logD

0.862

Water Solubility, LogSw

-1.45

Polar Surface Area

60.786

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SB95-1169 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB95-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-1169?
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What is the minimum amount of SB95-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-1169
  • 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 SB95-1169 available by request