8017-2130 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide

8017-2130 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide
8017-2130 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2130
N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide

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

8017-2130

Molecular Formula

C16H18IN5O (C16 H18 IN5 O)

Compound Name

N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-(4-iodo-35-dimethyl-1H-pyrazol-1-yl)acetamide

SMILES

Cc(n(CC(NCCc1nc(cccc2)c2[nH]1)=O)nc1C)c1I

InChI

InChI=1S/C16H18IN5O/c1-10-16(17)11(2)22(21-10)9-15(23)18-8-7-14-19-12-5-3-4-6-13(12)20-14/h3-6H,7-9H2,1-2H3,(H,18,23)(H,19,20)

InChI Key

MJZVUWRHPYTMHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.11

Polar Surface Area

59.115

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with 8017-2130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2130?
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What is the minimum amount of 8017-2130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2130
  • 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 8017-2130 available by request