8018-3089 Screening compound: N-[(furan-2-yl)methyl]-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide

8018-3089 Screening compound: N-[(furan-2-yl)methyl]-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
8018-3089 Screening compound: N-[(furan-2-yl)methyl]-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3089
N-[(furan-2-yl)methyl]-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide

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

8018-3089

Molecular Formula

C14H18IN3O2 (C14 H18 IN3 O2)

Compound Name

N-[(furan-2-yl)methyl]-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide

IUPAC name

N-[(furan-2-yl)methyl]-4-(4-iodo-35-dimethyl-1H-pyrazol-1-yl)butanamide

SMILES

Cc(n(CCCC(NCc1ccco1)=O)nc1C)c1I

InChI

InChI=1S/C14H18IN3O2/c1-10-14(15)11(2)18(17-10)7-3-6-13(19)16-9-12-5-4-8-20-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,19)

InChI Key

XFFKDFWMJTWQED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.412

Water Solubility, LogSw

-1.86

Polar Surface Area

46.719

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8018-3089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3089?
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What is the minimum amount of 8018-3089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3089
  • 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 8018-3089 available by request