4515-0077 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

4515-0077 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide
4515-0077 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4515-0077
2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

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

4515-0077

Molecular Formula

C17H12N4O3S (C17 H12 N4 O3 S)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-N'-[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]acetohydrazide

SMILES

O=C(CSc1nc(cccc2)c2o1)N/N=C(/c(cccc1)c1N1)\C1=O

InChI

InChI=1S/C17H12N4O3S/c22-14(9-25-17-19-12-7-3-4-8-13(12)24-17)20-21-15-10-5-1-2-6-11(10)18-16(15)23/h1-8H,9H2,(H,20,22)(H,18,21,23)

InChI Key

UVWLXCXXUOBTAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00497639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.67

Polar Surface Area

75.814

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 4515-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4515-0077?
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What is the minimum amount of 4515-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4515-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4515-0077
  • 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 4515-0077 available by request