SB21-1181 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-thiazol-4-yl)methanone

SB21-1181 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-thiazol-4-yl)methanone
SB21-1181 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-thiazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1181
((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-thiazol-4-yl)methanone

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

SB21-1181

Molecular Formula

C16H19FN6O2S (C16 H19 FN6 O2 S)

Compound Name

((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-thiazol-4-yl)methanone

IUPAC name

1-{[(2S4S)-4-fluoro-1-(13-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

O=C(c1cn(C[C@H](C[C@@H](C2)F)N2C(c2cscn2)=O)nn1)N1CCCC1

InChI

InChI=1S/C16H19FN6O2S/c17-11-5-12(23(6-11)16(25)14-9-26-10-18-14)7-22-8-13(19-20-22)15(24)21-3-1-2-4-21/h8-12H,1-7H2/t11-,12+/m1/s1

InChI Key

ZUMNHAZESQTMCH-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.633

Distribution Coefficient, logD

0.633

Water Solubility, LogSw

-1.50

Polar Surface Area

69.988

Acid Dissociation Constant (pKa)

25.25

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

References: we are preparing a list of scientific research reports with SB21-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1181?
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What is the minimum amount of SB21-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1181
  • 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 SB21-1181 available by request