2009-1731 Screening compound: ethyl 2-[(3E)-2-oxo-3-({2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetamido}imino)-2,3-dihydro-1H-indol-1-yl]acetate

2009-1731 Screening compound: ethyl 2-[(3E)-2-oxo-3-({2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetamido}imino)-2,3-dihydro-1H-indol-1-yl]acetate
2009-1731 Screening compound: ethyl 2-[(3E)-2-oxo-3-({2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetamido}imino)-2,3-dihydro-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2009-1731
ethyl 2-[(3E)-2-oxo-3-({2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetamido}imino)-2,3-dihydro-1H-indol-1-yl]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

2009-1731

Molecular Formula

C26H22N6O4 (C26 H22 N6 O4)

Compound Name

ethyl 2-[(3E)-2-oxo-3-({2-[2-(pyridin-2-yl)-1H-1,3-benzodiazol-1-yl]acetamido}imino)-2,3-dihydro-1H-indol-1-yl]acetate

IUPAC name

ethyl 2-[(3E)-2-oxo-3-({2-[2-(pyridin-2-yl)-1H-13-benzodiazol-1-yl]acetamido}imino)-23-dihydro-1H-indol-1-yl]acetate

SMILES

CCOC(CN(c(cccc1)c1/C1=N\NC(Cn2c(-c3ncccc3)nc3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C26H22N6O4/c1-2-36-23(34)16-32-20-12-5-3-9-17(20)24(26(32)35)30-29-22(33)15-31-21-13-6-4-10-18(21)28-25(31)19-11-7-8-14-27-19/h3-14H,2,15-16H2,1H3,(H,29,33)

InChI Key

BDEHVIOXACGOLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.051

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-3.48

Polar Surface Area

88.783

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 2009-1731 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2009-1731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2009-1731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2009-1731
  • 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 2009-1731 available by request