SB04-0098 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1-methyl-1H-imidazole-2-carboxamide

SB04-0098 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1-methyl-1H-imidazole-2-carboxamide
SB04-0098 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1-methyl-1H-imidazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0098
N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1-methyl-1H-imidazole-2-carboxamide

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

SB04-0098

Molecular Formula

C17H29N5O4S (C17 H29 N5 O4 S)

Compound Name

N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1-methyl-1H-imidazole-2-carboxamide

IUPAC name

N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-1-methyl-1H-imidazole-2-carboxamide

SMILES

Cn1c(C(NCCN(C(CC2)CN2S(C)(=O)=O)C2CCOCC2)=O)ncc1

InChI

InChI=1S/C17H29N5O4S/c1-20-9-6-18-16(20)17(23)19-7-10-22(14-4-11-26-12-5-14)15-3-8-21(13-15)27(2,24)25/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3,(H,19,23)/t15-/m1/s1

InChI Key

PIGIGEMSNFNRJD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32245994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.742

Distribution Coefficient, logD

-0.762

Water Solubility, LogSw

-1.76

Polar Surface Area

78.392

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

SB04-0098 in Drug Discovery

Included in Screening Libraries

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 SB04-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0098?
Check Price and Availability of SB04-0098, 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 SB04-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0098
  • 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 SB04-0098 available by request