SB21-0878 Screening compound: 1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB21-0878 Screening compound: 1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB21-0878 Screening compound: 1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-0878
1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-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

SB21-0878

Molecular Formula

C14H19FN6O2 (C14 H19 FN6 O2)

Compound Name

1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-1-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1noc(C)c1CN(C1)[C@H](Cn2nnc(C(N)=O)c2)C[C@@H]1F

InChI

InChI=1S/C14H19FN6O2/c1-8-12(9(2)23-18-8)6-20-4-10(15)3-11(20)5-21-7-13(14(16)22)17-19-21/h7,10-11H,3-6H2,1-2H3,(H2,16,22)/t10-,11+/m0/s1

InChI Key

XQBRHWVHEXWXDN-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.147

Distribution Coefficient, logD

-0.286

Water Solubility, LogSw

-0.12

Polar Surface Area

86.693

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

SB21-0878 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

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 SB21-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-0878?
Check Price and Availability of SB21-0878, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB21-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-0878
  • 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 SB21-0878 available by request