2009-1568 Screening compound: 4-bromo-2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

2009-1568 Screening compound: 4-bromo-2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate
2009-1568 Screening compound: 4-bromo-2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2009-1568
4-bromo-2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

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

2009-1568

Molecular Formula

C26H24BrN3O8 (C26 H24 BrN3 O8)

Compound Name

4-bromo-2-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

IUPAC name

4-bromo-2-[(E)-({2-[(345-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

SMILES

COc1cc(C(NCC(N/N=C/c(cc(cc2)Br)c2OC(/C=C/c2ccco2)=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C26H24BrN3O8/c1-34-21-12-16(13-22(35-2)25(21)36-3)26(33)28-15-23(31)30-29-14-17-11-18(27)6-8-20(17)38-24(32)9-7-19-5-4-10-37-19/h4-14H,15H2,1-3H3,(H,28,33)(H,30,31)

InChI Key

PELLPUJHZYLFJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00702030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-4.17

Polar Surface Area

110.622

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2009-1568 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 2009-1568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2009-1568?
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What is the minimum amount of 2009-1568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2009-1568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2009-1568
  • 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 2009-1568 available by request