SB91-1348 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]urea

SB91-1348 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]urea
SB91-1348 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-1348
3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(1,3,5-trimethyl-1H-pyrazole-4-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

SB91-1348

Molecular Formula

C21H36N6O2 (C21 H36 N6 O2)

Compound Name

3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]urea

IUPAC name

33-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(135-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]urea

SMILES

Cc1c(C(N(CC2)CC2N(CCN2CCCCC2)C(N(C)C)=O)=O)c(C)nn1C

InChI

InChI=1S/C21H36N6O2/c1-16-19(17(2)24(5)22-16)20(28)26-12-9-18(15-26)27(21(29)23(3)4)14-13-25-10-7-6-8-11-25/h18H,6-15H2,1-5H3/t18-/m0/s1

InChI Key

MBTNIPZYFXNAKC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32250008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.479

Distribution Coefficient, logD

-3.537

Water Solubility, LogSw

-0.47

Polar Surface Area

52.137

Acid Dissociation Constant (pKa)

26.66

Base Dissociation Constant (pKb)

11.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.19

SB91-1348 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB91-1348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-1348?
Check Price and Availability of SB91-1348, 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 SB91-1348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-1348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-1348
  • 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 SB91-1348 available by request