T648-0185 Screening compound: (2S,4R)-N~2~-[2-(5-fluoro-1H-1,3-benzimidazol-2-yl)ethyl]-4-hydroxy-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrole-2-carboxamide

T648-0185 Screening compound: (2S,4R)-N~2~-[2-(5-fluoro-1H-1,3-benzimidazol-2-yl)ethyl]-4-hydroxy-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrole-2-carboxamide
T648-0185 Screening compound: (2S,4R)-N~2~-[2-(5-fluoro-1H-1,3-benzimidazol-2-yl)ethyl]-4-hydroxy-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T648-0185
(2S,4R)-N~2~-[2-(5-fluoro-1H-1,3-benzimidazol-2-yl)ethyl]-4-hydroxy-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrole-2-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

T648-0185

Molecular Formula

C19H25FN4O3 (C19 H25 FN4 O3)

Compound Name

(2S,4R)-N~2~-[2-(5-fluoro-1H-1,3-benzimidazol-2-yl)ethyl]-4-hydroxy-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

n/a

SMILES

O[C@H](C[C@H]1C(NCCc2nc(cc(cc3)F)c3[nH]2)=O)CN1C1CCOCC1

InChI

InChI=1S/C19H25FN4O3/c20-12-1-2-15-16(9-12)23-18(22-15)3-6-21-19(26)17-10-14(25)11-24(17)13-4-7-27-8-5-13/h1-2,9,13-14,17,25H,3-8,10-11H2,(H,21,26)(H,22,23)/t14-,17-/m0/s1

InChI Key

BFBNNTJZXJXWAN-YOEHRIQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

0.997

Water Solubility, LogSw

-2.04

Polar Surface Area

71.684

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with T648-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T648-0185?
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What is the minimum amount of T648-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T648-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T648-0185
  • 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 T648-0185 available by request