4515-0042 Screening compound: 1-(4-hydroxyphenyl)-3-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

4515-0042 Screening compound: 1-(4-hydroxyphenyl)-3-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
4515-0042 Screening compound: 1-(4-hydroxyphenyl)-3-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4515-0042
1-(4-hydroxyphenyl)-3-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

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

4515-0042

Molecular Formula

C15H12N4O2S (C15 H12 N4 O2 S)

Compound Name

1-(4-hydroxyphenyl)-3-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

IUPAC name

1-(4-hydroxyphenyl)-3-{[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}thiourea

SMILES

Oc(cc1)ccc1NC(N/N=C(/c(cccc1)c1N1)\C1=O)=S

InChI

InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)

InChI Key

ZHHRPVBWMDMZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.635

Water Solubility, LogSw

-3.50

Polar Surface Area

72.713

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4515-0042 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4515-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4515-0042?
Check Price and Availability of 4515-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4515-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4515-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4515-0042
  • 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 4515-0042 available by request