SB21-1404 Screening compound: 1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-2-ethoxy-1-ethanone

SB21-1404 Screening compound: 1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-2-ethoxy-1-ethanone
SB21-1404 Screening compound: 1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-2-ethoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1404
1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-2-ethoxy-1-ethanone

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

SB21-1404

Molecular Formula

C20H24FN5O3 (C20 H24 FN5 O3)

Compound Name

1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-2-ethoxy-1-ethanone

IUPAC name

1-[(2S4S)-2-{[4-(23-dihydro-1H-indole-1-carbonyl)-1H-123-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-ethoxyethan-1-one

SMILES

CCOCC(N(C1)[C@H](Cn2nnc(C(N(CC3)c4c3cccc4)=O)c2)C[C@@H]1F)=O

InChI

InChI=1S/C20H24FN5O3/c1-2-29-13-19(27)26-10-15(21)9-16(26)11-24-12-17(22-23-24)20(28)25-8-7-14-5-3-4-6-18(14)25/h3-6,12,15-16H,2,7-11,13H2,1H3/t15-,16+/m0/s1

InChI Key

ATLHFKTWBUFCNJ-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.146

Distribution Coefficient, logD

1.146

Water Solubility, LogSw

-1.74

Polar Surface Area

66.827

Acid Dissociation Constant (pKa)

22.69

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB21-1404 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB21-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1404?
Check Price and Availability of SB21-1404, 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 SB21-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1404
  • 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 SB21-1404 available by request