SB21-1196 Screening compound: (2S,4S)-4-fluoro-N-propyl-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrole-1-carboxamide

SB21-1196 Screening compound: (2S,4S)-4-fluoro-N-propyl-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrole-1-carboxamide
SB21-1196 Screening compound: (2S,4S)-4-fluoro-N-propyl-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1196
(2S,4S)-4-fluoro-N-propyl-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrole-1-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

SB21-1196

Molecular Formula

C16H25FN6O2 (C16 H25 FN6 O2)

Compound Name

(2S,4S)-4-fluoro-N-propyl-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(2S4S)-4-fluoro-N-propyl-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidine-1-carboxamide

SMILES

CCCNC(N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)C[C@@H]1F)=O

InChI

InChI=1S/C16H25FN6O2/c1-2-5-18-16(25)23-9-12(17)8-13(23)10-22-11-14(19-20-22)15(24)21-6-3-4-7-21/h11-13H,2-10H2,1H3,(H,18,25)/t12-,13+/m0/s1

InChI Key

HQAWQQAOSGMOOS-QWHCGFSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.120

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-1.83

Polar Surface Area

70.616

Acid Dissociation Constant (pKa)

17.28

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

SB21-1196 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 SB21-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1196?
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What is the minimum amount of SB21-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1196
  • 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 SB21-1196 available by request