SB20-1289 Screening compound: 1-({(2S)-1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

SB20-1289 Screening compound: 1-({(2S)-1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
SB20-1289 Screening compound: 1-({(2S)-1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-1289
1-({(2S)-1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-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

SB20-1289

Molecular Formula

C17H21F2N5O4S (C17 H21 F2 N5 O4 S)

Compound Name

1-({(2S)-1-[(3,4-difluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-1-(34-difluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-123-triazole-4-carboxamide

SMILES

COCCNC(c1cn(C[C@H](CCC2)N2S(c(cc2)cc(F)c2F)(=O)=O)nn1)=O

InChI

InChI=1S/C17H21F2N5O4S/c1-28-8-6-20-17(25)16-11-23(22-21-16)10-12-3-2-7-24(12)29(26,27)13-4-5-14(18)15(19)9-13/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,20,25)/t12-/m0/s1

InChI Key

AHGLYHAOANZFAH-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

1.199

Water Solubility, LogSw

-2.38

Polar Surface Area

92.121

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

SB20-1289 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB20-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-1289?
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What is the minimum amount of SB20-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-1289
  • 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 SB20-1289 available by request