SB34-0125 Screening compound: 1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

SB34-0125 Screening compound: 1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone
SB34-0125 Screening compound: 1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0125
1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

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

SB34-0125

Molecular Formula

C18H25FN6O (C18 H25 FN6 O)

Compound Name

1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

IUPAC name

1-[(3S4S)-3-(3-cyclopropyl-1H-124-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-3-(35-dimethyl-1H-pyrazol-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(C[C@@H]1CF)C[C@@H]1c1nc(C2CC2)n[nH]1)=O

InChI

InChI=1S/C18H25FN6O/c1-11-7-12(2)25(23-11)6-5-16(26)24-9-14(8-19)15(10-24)18-20-17(21-22-18)13-3-4-13/h7,13-15H,3-6,8-10H2,1-2H3,(H,20,21,22)/t14-,15-/m0/s1

InChI Key

VPAQGYJIQHPYEB-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.655

Distribution Coefficient, logD

0.635

Water Solubility, LogSw

-1.96

Polar Surface Area

64.614

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with SB34-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0125?
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What is the minimum amount of SB34-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0125
  • 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 SB34-0125 available by request