SB14-0781 Screening compound: N-{1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-ylacetamide

SB14-0781 Screening compound: N-{1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-ylacetamide
SB14-0781 Screening compound: N-{1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-ylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB14-0781
N-{1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-ylacetamide

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

SB14-0781

Molecular Formula

C17H22F2N2O4S (C17 H22 F2 N2 O4 S)

Compound Name

N-{1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-ylacetamide

IUPAC name

N-[1-(34-difluorobenzenesulfonyl)pyrrolidin-3-yl]-N-(oxan-4-yl)acetamide

SMILES

CC(N(C(CC1)CN1S(c(cc1)cc(F)c1F)(=O)=O)C1CCOCC1)=O

InChI

InChI=1S/C17H22F2N2O4S/c1-12(22)21(13-5-8-25-9-6-13)14-4-7-20(11-14)26(23,24)15-2-3-16(18)17(19)10-15/h2-3,10,13-14H,4-9,11H2,1H3/t14-/m1/s1

InChI Key

RNLXESZAZKGDGN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32245313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.769

Distribution Coefficient, logD

1.769

Water Solubility, LogSw

-2.53

Polar Surface Area

55.242

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

References: we are preparing a list of scientific research reports with SB14-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB14-0781?
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What is the minimum amount of SB14-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB14-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB14-0781
  • 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 SB14-0781 available by request