SB36-1402 Screening compound: 1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

SB36-1402 Screening compound: 1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
SB36-1402 Screening compound: 1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1402
1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-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

SB36-1402

Molecular Formula

C18H19ClF3N5O3 (C18 H19 ClF3 N5 O3)

Compound Name

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

IUPAC name

1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)-44-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-123-triazole-4-carboxamide

SMILES

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

InChI

InChI=1S/C18H19ClF3N5O3/c1-30-5-4-23-16(28)15-9-26(25-24-15)8-12-7-18(21,22)10-27(12)17(29)13-6-11(19)2-3-14(13)20/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,23,28)/t12-/m0/s1

InChI Key

KAICSASDYDVSHC-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.944

Distribution Coefficient, logD

1.944

Water Solubility, LogSw

-3.25

Polar Surface Area

76.214

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

SB36-1402 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 SB36-1402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1402?
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What is the minimum amount of SB36-1402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1402
  • 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 SB36-1402 available by request