SB21-1300 Screening compound: 1-{[(2S,4S)-1-(2-cyclopropylacetyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB21-1300 Screening compound: 1-{[(2S,4S)-1-(2-cyclopropylacetyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB21-1300 Screening compound: 1-{[(2S,4S)-1-(2-cyclopropylacetyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1300
1-{[(2S,4S)-1-(2-cyclopropylacetyl)-4-fluorotetrahydro-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

SB21-1300

Molecular Formula

C13H18FN5O2 (C13 H18 FN5 O2)

Compound Name

1-{[(2S,4S)-1-(2-cyclopropylacetyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-1-(2-cyclopropylacetyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

NC(c1cn(C[C@H](C[C@@H](C2)F)N2C(CC2CC2)=O)nn1)=O

InChI

InChI=1S/C13H18FN5O2/c14-9-4-10(6-18-7-11(13(15)21)16-17-18)19(5-9)12(20)3-8-1-2-8/h7-10H,1-6H2,(H2,15,21)/t9-,10+/m0/s1

InChI Key

WHFRJKGRAYBAQM-VHSXEESVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.193

Distribution Coefficient, logD

-0.193

Water Solubility, LogSw

-0.21

Polar Surface Area

77.400

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.23

SB21-1300 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB21-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1300?
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What is the minimum amount of SB21-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1300
  • 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 SB21-1300 available by request