8015-2161 Screening compound: O~2~-[2-(2-methoxyphenyl)acetyl]-1,5-dimethyl-1H-pyrrole-2-carbohydroximamide

8015-2161 Screening compound: O~2~-[2-(2-methoxyphenyl)acetyl]-1,5-dimethyl-1H-pyrrole-2-carbohydroximamide
8015-2161 Screening compound: O~2~-[2-(2-methoxyphenyl)acetyl]-1,5-dimethyl-1H-pyrrole-2-carbohydroximamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2161
O~2~-[2-(2-methoxyphenyl)acetyl]-1,5-dimethyl-1H-pyrrole-2-carbohydroximamide

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

8015-2161

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

O~2~-[2-(2-methoxyphenyl)acetyl]-1,5-dimethyl-1H-pyrrole-2-carbohydroximamide

IUPAC name

(E)-[amino(15-dimethyl-1H-pyrrol-2-yl)methylidene]amino 2-(2-methoxyphenyl)acetate

SMILES

Cc1ccc(/C(/N)=N\OC(Cc(cccc2)c2OC)=O)n1C

InChI

InChI=1S/C16H19N3O3/c1-11-8-9-13(19(11)2)16(17)18-22-15(20)10-12-6-4-5-7-14(12)21-3/h4-9H,10H2,1-3H3,(H2,17,18)

InChI Key

SMINEYOUBAVUCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.893

Distribution Coefficient, logD

1.893

Water Solubility, LogSw

-2.05

Polar Surface Area

61.402

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8015-2161 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8015-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2161?
Check Price and Availability of 8015-2161, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2161
  • 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 8015-2161 available by request