SB36-0767 Screening compound: 1-({(2S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N~4~-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

SB36-0767 Screening compound: 1-({(2S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N~4~-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
SB36-0767 Screening compound: 1-({(2S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N~4~-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0767
1-({(2S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N~4~-(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

SB36-0767

Molecular Formula

C19H27F2N7O3 (C19 H27 F2 N7 O3)

Compound Name

1-({(2S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N~4~-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-1-[3-(35-dimethyl-1H-pyrazol-1-yl)propanoyl]-44-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(C)nn1CCC(N(C1)[C@H](Cn2nnc(C(NCCOC)=O)c2)CC1(F)F)=O

InChI

InChI=1S/C19H27F2N7O3/c1-13-8-14(2)28(24-13)6-4-17(29)27-12-19(20,21)9-15(27)10-26-11-16(23-25-26)18(30)22-5-7-31-3/h8,11,15H,4-7,9-10,12H2,1-3H3,(H,22,30)/t15-/m1/s1

InChI Key

JRUUJGOWTDUYHD-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.376

Distribution Coefficient, logD

-0.377

Water Solubility, LogSw

-1.19

Polar Surface Area

89.672

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SB36-0767 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 SB36-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0767?
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What is the minimum amount of SB36-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0767
  • 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 SB36-0767 available by request