1805-1401 Screening compound: 2-(4-chlorophenyl)-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide

1805-1401 Screening compound: 2-(4-chlorophenyl)-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide
1805-1401 Screening compound: 2-(4-chlorophenyl)-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1401
2-(4-chlorophenyl)-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide

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

1805-1401

Molecular Formula

C26H23ClN4O3 (C26 H23 ClN4 O3)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-N-({N'-[(3E)-2-oxo-1-(2-phenylethyl)-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide

SMILES

O=C(Cc(cc1)ccc1Cl)NCC(N/N=C(\c(cccc1)c1N1CCc2ccccc2)/C1=O)=O

InChI

InChI=1S/C26H23ClN4O3/c27-20-12-10-19(11-13-20)16-23(32)28-17-24(33)29-30-25-21-8-4-5-9-22(21)31(26(25)34)15-14-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,28,32)(H,29,33)

InChI Key

CMOGXCDITKDHQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01147240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.72

Polar Surface Area

73.826

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

1805-1401 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1805-1401 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1805-1401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1401
  • 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 1805-1401 available by request