SB91-0245 Screening compound: N-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

SB91-0245 Screening compound: N-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide
SB91-0245 Screening compound: N-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0245
N-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]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

SB91-0245

Molecular Formula

C22H32N4O2 (C22 H32 N4 O2)

Compound Name

N-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

IUPAC name

N-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

SMILES

Cc(cc1)ncc1C(N(CC1)CC1N(CCN1CCCCC1)C(C1CC1)=O)=O

InChI

InChI=1S/C22H32N4O2/c1-17-5-6-19(15-23-17)21(27)25-12-9-20(16-25)26(22(28)18-7-8-18)14-13-24-10-3-2-4-11-24/h5-6,15,18,20H,2-4,7-14,16H2,1H3/t20-/m1/s1

InChI Key

UNPUTZHRMDSTLO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32250521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

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

1.693

Distribution Coefficient, logD

0.166

Water Solubility, LogSw

-1.76

Polar Surface Area

45.606

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SB91-0245 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB91-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0245?
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What is the minimum amount of SB91-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0245
  • 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 SB91-0245 available by request