1805-1387 Screening compound: 3,4,5-trimethoxy-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

1805-1387 Screening compound: 3,4,5-trimethoxy-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide
1805-1387 Screening compound: 3,4,5-trimethoxy-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1387
3,4,5-trimethoxy-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-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

1805-1387

Molecular Formula

C28H28N4O6 (C28 H28 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(C(NCC(N/N=C(\c(cccc2)c2N2CCc3ccccc3)/C2=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C28H28N4O6/c1-36-22-15-19(16-23(37-2)26(22)38-3)27(34)29-17-24(33)30-31-25-20-11-7-8-12-21(20)32(28(25)35)14-13-18-9-5-4-6-10-18/h4-12,15-16H,13-14,17H2,1-3H3,(H,29,34)(H,30,33)

InChI Key

PKLMLHOJMODZTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01147174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.87

Polar Surface Area

97.017

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

1805-1387 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1805-1387 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1387
  • 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 1805-1387 available by request