SB36-1012 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(4-methoxy-2-methylphenyl)methanone

SB36-1012 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(4-methoxy-2-methylphenyl)methanone
SB36-1012 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(4-methoxy-2-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1012
((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(4-methoxy-2-methylphenyl)methanone

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

SB36-1012

Molecular Formula

C21H25F2N5O3 (C21 H25 F2 N5 O3)

Compound Name

((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(4-methoxy-2-methylphenyl)methanone

IUPAC name

1-{[(2S)-44-difluoro-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

Cc(cc(cc1)OC)c1C(N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)CC1(F)F)=O

InChI

InChI=1S/C21H25F2N5O3/c1-14-9-16(31-2)5-6-17(14)19(29)28-13-21(22,23)10-15(28)11-27-12-18(24-25-27)20(30)26-7-3-4-8-26/h5-6,9,12,15H,3-4,7-8,10-11,13H2,1-2H3/t15-/m1/s1

InChI Key

CRCHRFWJKURSIL-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-2.82

Polar Surface Area

67.904

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with SB36-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1012?
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What is the minimum amount of SB36-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1012
  • 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 SB36-1012 available by request