SB36-1073 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-dimethyl-1H-pyrazol-4-yl)methanone

SB36-1073 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-dimethyl-1H-pyrazol-4-yl)methanone
SB36-1073 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-dimethyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1073
((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1,3-dimethyl-1H-pyrazol-4-yl)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

SB36-1073

Molecular Formula

C18H23F2N7O2 (C18 H23 F2 N7 O2)

Compound Name

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

IUPAC name

1-{[(2S)-1-(13-dimethyl-1H-pyrazole-4-carbonyl)-44-difluoropyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

Cc1nn(C)cc1C(N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)CC1(F)F)=O

InChI

InChI=1S/C18H23F2N7O2/c1-12-14(9-24(2)22-12)16(28)27-11-18(19,20)7-13(27)8-26-10-15(21-23-26)17(29)25-5-3-4-6-25/h9-10,13H,3-8,11H2,1-2H3/t13-/m1/s1

InChI Key

AQFHHYQGUSKHTM-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.285

Distribution Coefficient, logD

0.285

Water Solubility, LogSw

-1.06

Polar Surface Area

75.522

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB36-1073 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB36-1073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1073?
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What is the minimum amount of SB36-1073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1073
  • 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 SB36-1073 available by request