SB91-1252 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]urea

SB91-1252 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]urea
SB91-1252 Screening compound: 3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-1252
3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(thiophene-2-sulfonyl)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

SB91-1252

Molecular Formula

C18H30N4O3S2 (C18 H30 N4 O3 S2)

Compound Name

3,3-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]urea

IUPAC name

33-dimethyl-1-[2-(piperidin-1-yl)ethyl]-1-[1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]urea

SMILES

CN(C)C(N(CCN1CCCCC1)C(CC1)CN1S(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C18H30N4O3S2/c1-19(2)18(23)22(13-12-20-9-4-3-5-10-20)16-8-11-21(15-16)27(24,25)17-7-6-14-26-17/h6-7,14,16H,3-5,8-13,15H2,1-2H3/t16-/m1/s1

InChI Key

LKPSMWKHRFGPFB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32250762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.812

Distribution Coefficient, logD

-2.204

Water Solubility, LogSw

-2.41

Polar Surface Area

53.378

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

11.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SB91-1252 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 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 SB91-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-1252?
Check Price and Availability of SB91-1252, 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 SB91-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-1252
  • 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 SB91-1252 available by request