1094-0121 Screening compound: N-(4-nitrophenyl)-1-{N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}formamide

1094-0121 Screening compound: N-(4-nitrophenyl)-1-{N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}formamide
1094-0121 Screening compound: N-(4-nitrophenyl)-1-{N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}formamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1094-0121
N-(4-nitrophenyl)-1-{N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}formamide

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

1094-0121

Molecular Formula

C19H15N5O5 (C19 H15 N5 O5)

Compound Name

N-(4-nitrophenyl)-1-{N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}formamide

IUPAC name

N-(4-nitrophenyl)-1-{N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}formamide

SMILES

C=CCN(c(cccc1)c1/C1=N/NC(C(Nc(cc2)ccc2[N+]([O-])=O)=O)=O)C1=O

InChI

InChI=1S/C19H15N5O5/c1-2-11-23-15-6-4-3-5-14(15)16(19(23)27)21-22-18(26)17(25)20-12-7-9-13(10-8-12)24(28)29/h2-10H,1,11H2,(H,20,25)(H,22,26)

InChI Key

PFCCCYUMGGWNFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00614491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.416

Distribution Coefficient, logD

-0.894

Water Solubility, LogSw

-3.10

Polar Surface Area

106.584

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

1094-0121 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 1094-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1094-0121?
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What is the minimum amount of 1094-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1094-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1094-0121
  • 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 1094-0121 available by request