SB91-1244 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]urea

SB91-1244 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]urea
SB91-1244 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-1244
3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]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

SB91-1244

Molecular Formula

C19H30N6O2 (C19 H30 N6 O2)

Compound Name

3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]urea

IUPAC name

33-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]urea

SMILES

CN(C)C(N(CCN1CCCCC1)C(CC1)CN1C(c1nccnc1)=O)=O

InChI

InChI=1S/C19H30N6O2/c1-22(2)19(27)25(13-12-23-9-4-3-5-10-23)16-6-11-24(15-16)18(26)17-14-20-7-8-21-17/h7-8,14,16H,3-6,9-13,15H2,1-2H3/t16-/m0/s1

InChI Key

XSRBIPIZPXPZMY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32250687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.405

Distribution Coefficient, logD

-3.611

Water Solubility, LogSw

-0.75

Polar Surface Area

55.863

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

11.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

SB91-1244 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB91-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-1244?
Check Price and Availability of SB91-1244, 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 SB91-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-1244
  • 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 SB91-1244 available by request