SB21-1321 Screening compound: 1-[((2S,4S)-4-fluoro-1-{2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetyl}tetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

SB21-1321 Screening compound: 1-[((2S,4S)-4-fluoro-1-{2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetyl}tetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
SB21-1321 Screening compound: 1-[((2S,4S)-4-fluoro-1-{2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetyl}tetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1321
1-[((2S,4S)-4-fluoro-1-{2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetyl}tetrahydro-1H-pyrrol-2-yl)methyl]-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

SB21-1321

Molecular Formula

C17H17FN6O4 (C17 H17 FN6 O4)

Compound Name

1-[((2S,4S)-4-fluoro-1-{2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetyl}tetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-4-fluoro-1-[2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

NC(c1cn(C[C@H](C[C@@H](C2)F)N2C(CN(c(cccc2)c2O2)C2=O)=O)nn1)=O

InChI

InChI=1S/C17H17FN6O4/c18-10-5-11(7-22-8-12(16(19)26)20-21-22)23(6-10)15(25)9-24-13-3-1-2-4-14(13)28-17(24)27/h1-4,8,10-11H,5-7,9H2,(H2,19,26)/t10-,11+/m0/s1

InChI Key

QSBLWMGUVSPKTL-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.276

Distribution Coefficient, logD

-0.276

Water Solubility, LogSw

-1.47

Polar Surface Area

99.977

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.29

SB21-1321 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 SB21-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1321?
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What is the minimum amount of SB21-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1321
  • 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 SB21-1321 available by request