G013-0649 Screening compound: 1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine

G013-0649 Screening compound: 1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine
G013-0649 Screening compound: 1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0649
1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine

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

G013-0649

Molecular Formula

C19H19FN4O (C19 H19 FN4 O)

Compound Name

1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine

IUPAC name

1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine

SMILES

O=C(c1c(-n2cccc2)n(-c2cccc(F)c2)nc1)N1CCCCC1

InChI

InChI=1S/C19H19FN4O/c20-15-7-6-8-16(13-15)24-18(22-9-4-5-10-22)17(14-21-24)19(25)23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12H2

InChI Key

KLEOQPXGWDPZCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-3.76

Polar Surface Area

33.743

Acid Dissociation Constant (pKa)

27.43

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G013-0649 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G013-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0649?
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What is the minimum amount of G013-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0649
  • 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 G013-0649 available by request