G639-3418 Screening compound: 1-(3,4-dimethylphenyl)-4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}pyrrolidin-2-one

G639-3418 Screening compound: 1-(3,4-dimethylphenyl)-4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}pyrrolidin-2-one
G639-3418 Screening compound: 1-(3,4-dimethylphenyl)-4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3418
1-(3,4-dimethylphenyl)-4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}pyrrolidin-2-one

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

G639-3418

Molecular Formula

C26H28N6O3 (C26 H28 N6 O3)

Compound Name

1-(3,4-dimethylphenyl)-4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}pyrrolidin-2-one

IUPAC name

1-(34-dimethylphenyl)-4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}pyrrolidin-2-one

SMILES

Cc(cc1)c(C)cc1N(CC(C1)C(N(CC2)CCN2C(c2n[nH]c(-c3ccncc3)c2)=O)=O)C1=O

InChI

InChI=1S/C26H28N6O3/c1-17-3-4-21(13-18(17)2)32-16-20(14-24(32)33)25(34)30-9-11-31(12-10-30)26(35)23-15-22(28-29-23)19-5-7-27-8-6-19/h3-8,13,15,20H,9-12,14,16H2,1-2H3,(H,28,29)/t20-/m1/s1

InChI Key

OSZSBQRZVKTZIN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27147905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.297

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.44

Polar Surface Area

82.011

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

G639-3418 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 G639-3418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3418?
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What is the minimum amount of G639-3418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3418
  • 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 G639-3418 available by request