SB04-0080 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}pyrimidine-4-carboxamide

SB04-0080 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}pyrimidine-4-carboxamide
SB04-0080 Screening compound: N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0080
N-{2-[(1-methanesulfonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}pyrimidine-4-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

SB04-0080

Molecular Formula

C17H27N5O4S (C17 H27 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CS(N(CC1)CC1N(CCNC(c1ncncc1)=O)C1CCOCC1)(=O)=O

InChI

InChI=1S/C17H27N5O4S/c1-27(24,25)21-8-3-15(12-21)22(14-4-10-26-11-5-14)9-7-19-17(23)16-2-6-18-13-20-16/h2,6,13-15H,3-5,7-12H2,1H3,(H,19,23)/t15-/m1/s1

InChI Key

BLKQUQQXDOGPFH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32245813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.546

Distribution Coefficient, logD

-0.555

Water Solubility, LogSw

-1.78

Polar Surface Area

86.246

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

SB04-0080 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB04-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0080?
Check Price and Availability of SB04-0080, 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 SB04-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0080
  • 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 SB04-0080 available by request