SB36-1240 Screening compound: 1-({(2S)-4,4-difluoro-1-[3-(phenylsulfonyl)propanoyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

SB36-1240 Screening compound: 1-({(2S)-4,4-difluoro-1-[3-(phenylsulfonyl)propanoyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
SB36-1240 Screening compound: 1-({(2S)-4,4-difluoro-1-[3-(phenylsulfonyl)propanoyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1240
1-({(2S)-4,4-difluoro-1-[3-(phenylsulfonyl)propanoyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-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

SB36-1240

Molecular Formula

C18H21F2N5O4S (C18 H21 F2 N5 O4 S)

Compound Name

1-({(2S)-4,4-difluoro-1-[3-(phenylsulfonyl)propanoyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-1-[3-(benzenesulfonyl)propanoyl]-44-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-123-triazole-4-carboxamide

SMILES

CNC(c1cn(C[C@H](CC(C2)(F)F)N2C(CCS(c2ccccc2)(=O)=O)=O)nn1)=O

InChI

InChI=1S/C18H21F2N5O4S/c1-21-17(27)15-11-24(23-22-15)10-13-9-18(19,20)12-25(13)16(26)7-8-30(28,29)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,21,27)/t13-/m0/s1

InChI Key

SORMCLKXKWNWQK-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.000

Distribution Coefficient, logD

-0.000

Water Solubility, LogSw

-2.17

Polar Surface Area

96.690

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

SB36-1240 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB36-1240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1240?
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What is the minimum amount of SB36-1240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1240
  • 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 SB36-1240 available by request