1805-1313 Screening compound: 3,4,5-trimethoxy-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

1805-1313 Screening compound: 3,4,5-trimethoxy-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide
1805-1313 Screening compound: 3,4,5-trimethoxy-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1313
3,4,5-trimethoxy-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

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

1805-1313

Molecular Formula

C20H19N5O8 (C20 H19 N5 O8)

Compound Name

3,4,5-trimethoxy-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

IUPAC name

345-trimethoxy-N-({N'-[(3E)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

SMILES

COc1cc(C(NCC(N/N=C(\c(cc(cc2)[N+]([O-])=O)c2N2)/C2=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C20H19N5O8/c1-31-14-6-10(7-15(32-2)18(14)33-3)19(27)21-9-16(26)23-24-17-12-8-11(25(29)30)4-5-13(12)22-20(17)28/h4-8H,9H2,1-3H3,(H,21,27)(H,23,26)(H,22,24,28)

InChI Key

FQTQDLHIYREXDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.4

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-2.66

Polar Surface Area

140.195

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 1805-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1805-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1313
  • 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 1805-1313 available by request