SB34-1197 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-difluorophenyl)-4-(fluoromethyl)tetrahydro-1H-pyrrole-1-carboxamide

SB34-1197 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-difluorophenyl)-4-(fluoromethyl)tetrahydro-1H-pyrrole-1-carboxamide
SB34-1197 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-difluorophenyl)-4-(fluoromethyl)tetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-1197
(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-difluorophenyl)-4-(fluoromethyl)tetrahydro-1H-pyrrole-1-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

SB34-1197

Molecular Formula

C20H24F3N5O (C20 H24 F3 N5 O)

Compound Name

(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-difluorophenyl)-4-(fluoromethyl)tetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(3S4S)-3-(3-cyclohexyl-1H-124-triazol-5-yl)-N-(25-difluorophenyl)-4-(fluoromethyl)pyrrolidine-1-carboxamide

SMILES

O=C(Nc(cc(cc1)F)c1F)N(C[C@@H]1CF)C[C@@H]1c1nc(C2CCCCC2)n[nH]1

InChI

InChI=1S/C20H24F3N5O/c21-9-13-10-28(20(29)24-17-8-14(22)6-7-16(17)23)11-15(13)19-25-18(26-27-19)12-4-2-1-3-5-12/h6-8,12-13,15H,1-5,9-11H2,(H,24,29)(H,25,26,27)/t13-,15-/m1/s1

InChI Key

LUTOJVLALBKPSS-UKRRQHHQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.15

Polar Surface Area

58.948

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with SB34-1197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-1197?
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What is the minimum amount of SB34-1197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-1197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-1197
  • 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 SB34-1197 available by request