SB21-1208 Screening compound: (2S,4S)-4-fluoro-N-(3-methoxypropyl)-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrole-1-carboxamide

SB21-1208 Screening compound: (2S,4S)-4-fluoro-N-(3-methoxypropyl)-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrole-1-carboxamide
SB21-1208 Screening compound: (2S,4S)-4-fluoro-N-(3-methoxypropyl)-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 SB21-1208
(2S,4S)-4-fluoro-N-(3-methoxypropyl)-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

SB21-1208

Molecular Formula

C17H27FN6O3 (C17 H27 FN6 O3)

Compound Name

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

IUPAC name

(2S4S)-4-fluoro-N-(3-methoxypropyl)-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidine-1-carboxamide

SMILES

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

InChI

InChI=1S/C17H27FN6O3/c1-27-8-4-5-19-17(26)24-10-13(18)9-14(24)11-23-12-15(20-21-23)16(25)22-6-2-3-7-22/h12-14H,2-11H2,1H3,(H,19,26)/t13-,14+/m0/s1

InChI Key

QWXYMRWROWXBAA-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.587

Distribution Coefficient, logD

0.587

Water Solubility, LogSw

-1.43

Polar Surface Area

78.958

Acid Dissociation Constant (pKa)

17.28

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

76.47

SB21-1208 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 SB21-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1208?
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What is the minimum amount of SB21-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1208
  • 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 SB21-1208 available by request