8017-1542 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide

8017-1542 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide
8017-1542 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1542
N~1~-(1,3-benzodioxol-5-yl)-2-(4-iodo-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

8017-1542

Molecular Formula

C12H10IN3O3 (C12 H10 IN3 O3)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide

SMILES

O=C(Cn1ncc(I)c1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C12H10IN3O3/c13-8-4-14-16(5-8)6-12(17)15-9-1-2-10-11(3-9)19-7-18-10/h1-5H,6-7H2,(H,15,17)

InChI Key

BYNUJDDBGFHWLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.13

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-2.96

Polar Surface Area

55.009

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8017-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1542?
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What is the minimum amount of 8017-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1542
  • 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 8017-1542 available by request