SB21-1010 Screening compound: 1-{[(2S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

SB21-1010 Screening compound: 1-{[(2S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
SB21-1010 Screening compound: 1-{[(2S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1010
1-{[(2S,4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N,N-dimethyl-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

SB21-1010

Molecular Formula

C17H18ClF2N5O2 (C17 H18 ClF2 N5 O2)

Compound Name

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

IUPAC name

1-{[(2S4S)-1-(5-chloro-2-fluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-NN-dimethyl-1H-123-triazole-4-carboxamide

SMILES

CN(C)C(c1cn(C[C@H](C[C@@H](C2)F)N2C(c(cc(cc2)Cl)c2F)=O)nn1)=O

InChI

InChI=1S/C17H18ClF2N5O2/c1-23(2)17(27)15-9-24(22-21-15)8-12-6-11(19)7-25(12)16(26)13-5-10(18)3-4-14(13)20/h3-5,9,11-12H,6-8H2,1-2H3/t11-,12+/m1/s1

InChI Key

LMLNRXTXNWOCID-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.141

Distribution Coefficient, logD

1.141

Water Solubility, LogSw

-2.68

Polar Surface Area

59.346

Acid Dissociation Constant (pKa)

24.29

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.18

SB21-1010 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 SB21-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1010?
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What is the minimum amount of SB21-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1010
  • 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 SB21-1010 available by request