SB91-1378 Screening compound: dimethyl({[2-(pyrrolidin-1-yl)ethyl][1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]sulfamoyl})amine

SB91-1378 Screening compound: dimethyl({[2-(pyrrolidin-1-yl)ethyl][1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]sulfamoyl})amine
SB91-1378 Screening compound: dimethyl({[2-(pyrrolidin-1-yl)ethyl][1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]sulfamoyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-1378
dimethyl({[2-(pyrrolidin-1-yl)ethyl][1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]sulfamoyl})amine

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

SB91-1378

Molecular Formula

C16H28N4O4S3 (C16 H28 N4 O4 S3)

Compound Name

dimethyl({[2-(pyrrolidin-1-yl)ethyl][1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]sulfamoyl})amine

IUPAC name

dimethyl({[2-(pyrrolidin-1-yl)ethyl][1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]sulfamoyl})amine

SMILES

CN(C)S(N(CCN1CCCC1)C(CC1)CN1S(c1cccs1)(=O)=O)(=O)=O

InChI

InChI=1S/C16H28N4O4S3/c1-17(2)27(23,24)20(12-11-18-8-3-4-9-18)15-7-10-19(14-15)26(21,22)16-6-5-13-25-16/h5-6,13,15H,3-4,7-12,14H2,1-2H3/t15-/m0/s1

InChI Key

KXUILGVSNBJGCP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32250011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.854

Distribution Coefficient, logD

0.076

Water Solubility, LogSw

-2.01

Polar Surface Area

73.147

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

SB91-1378 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with SB91-1378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-1378?
Check Price and Availability of SB91-1378, 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 SB91-1378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-1378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-1378
  • 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 SB91-1378 available by request