1309-2117 Screening compound: (2E,4Z)-2-[(4-methylphenyl)formamido]-N-[(oxolan-2-yl)methyl]-5-phenylpenta-2,4-dienamide

1309-2117 Screening compound: (2E,4Z)-2-[(4-methylphenyl)formamido]-N-[(oxolan-2-yl)methyl]-5-phenylpenta-2,4-dienamide
1309-2117 Screening compound: (2E,4Z)-2-[(4-methylphenyl)formamido]-N-[(oxolan-2-yl)methyl]-5-phenylpenta-2,4-dienamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2117
(2E,4Z)-2-[(4-methylphenyl)formamido]-N-[(oxolan-2-yl)methyl]-5-phenylpenta-2,4-dienamide

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

1309-2117

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

(2E,4Z)-2-[(4-methylphenyl)formamido]-N-[(oxolan-2-yl)methyl]-5-phenylpenta-2,4-dienamide

IUPAC name

(2E4Z)-2-[(4-methylphenyl)formamido]-N-[(oxolan-2-yl)methyl]-5-phenylpenta-24-dienamide

SMILES

Cc(cc1)ccc1C(N/C(/C(NCC1OCCC1)=O)=C/C=C\c1ccccc1)=O

InChI

InChI=1S/C24H26N2O3/c1-18-12-14-20(15-13-18)23(27)26-22(11-5-9-19-7-3-2-4-8-19)24(28)25-17-21-10-6-16-29-21/h2-5,7-9,11-15,21H,6,10,16-17H2,1H3,(H,25,28)(H,26,27)/t21-/m1/s1

InChI Key

HSLPZAXGJIMTOE-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00768570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

2.535

Water Solubility, LogSw

-3.93

Polar Surface Area

55.231

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

1309-2117 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1309-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2117?
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What is the minimum amount of 1309-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2117
  • 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 1309-2117 available by request