3379-3262 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]ethyl acetate

3379-3262 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]ethyl acetate
3379-3262 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3262
2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]ethyl acetate

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

3379-3262

Molecular Formula

C22H22N2O7 (C22 H22 N2 O7)

Compound Name

2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]ethyl acetate

IUPAC name

2-[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]ethyl acetate

SMILES

CC(OCCNC(/C(/NC(c(cccc1)c1OC)=O)=C/c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C22H22N2O7/c1-14(25)29-10-9-23-22(27)17(11-15-7-8-19-20(12-15)31-13-30-19)24-21(26)16-5-3-4-6-18(16)28-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,27)(H,24,26)

InChI Key

HCDLBDLZKDWYBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

0.264

Water Solubility, LogSw

-3.18

Polar Surface Area

92.585

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

3379-3262 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3379-3262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3262?
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What is the minimum amount of 3379-3262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3262
  • 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 3379-3262 available by request