J106-0512 Screening compound: methyl 2-{1-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl}acetate

J106-0512 Screening compound: methyl 2-{1-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl}acetate
J106-0512 Screening compound: methyl 2-{1-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0512
methyl 2-{1-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl}acetate

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

J106-0512

Molecular Formula

C20H23FN4O4 (C20 H23 FN4 O4)

Compound Name

methyl 2-{1-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl}acetate

IUPAC name

methyl 2-{1-[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl}acetate

SMILES

COC(CC(CC1)CCN1C(C(CC1=O)CN1c1n[nH]c2cccc(F)c12)=O)=O

InChI

InChI=1S/C20H23FN4O4/c1-29-17(27)9-12-5-7-24(8-6-12)20(28)13-10-16(26)25(11-13)19-18-14(21)3-2-4-15(18)22-23-19/h2-4,12-13H,5-11H2,1H3,(H,22,23)/t13-/m1/s1

InChI Key

UAKKSYSIDSMVRP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD23137798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.875

Distribution Coefficient, logD

1.875

Water Solubility, LogSw

-2.37

Polar Surface Area

76.625

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J106-0512 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with J106-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0512?
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What is the minimum amount of J106-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0512
  • 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 J106-0512 available by request