G013-0512 Screening compound: 1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-methylpiperazine

G013-0512 Screening compound: 1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-methylpiperazine
G013-0512 Screening compound: 1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0512
1-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-methylpiperazine

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

G013-0512

Molecular Formula

C19H20FN5O (C19 H20 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(c1c(-n2cccc2)n(-c2cccc(F)c2)nc1)=O

InChI

InChI=1S/C19H20FN5O/c1-22-9-11-24(12-10-22)19(26)17-14-21-25(16-6-4-5-15(20)13-16)18(17)23-7-2-3-8-23/h2-8,13-14H,9-12H2,1H3

InChI Key

GPOJJUIEEZGBDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.480

Water Solubility, LogSw

-2.74

Polar Surface Area

37.220

Acid Dissociation Constant (pKa)

27.53

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G013-0512 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G013-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0512?
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What is the minimum amount of G013-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0512
  • 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 G013-0512 available by request