1502-1182 Screening compound: 3-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-1-phenylthiourea

1502-1182 Screening compound: 3-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-1-phenylthiourea
1502-1182 Screening compound: 3-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-1-phenylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-1182
3-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-1-phenylthiourea

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

1502-1182

Molecular Formula

C18H14N4O3S (C18 H14 N4 O3 S)

Compound Name

3-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-1-phenylthiourea

IUPAC name

3-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-1-phenylthiourea

SMILES

[O-][N+](c(cccc1)c1-c1ccc(/C=N/NC(Nc2ccccc2)=S)o1)=O

InChI

InChI=1S/C18H14N4O3S/c23-22(24)16-9-5-4-8-15(16)17-11-10-14(25-17)12-19-21-18(26)20-13-6-2-1-3-7-13/h1-12H,(H2,20,21,26)

InChI Key

YSBYVEAOCRILDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.94

Polar Surface Area

71.936

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1502-1182 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1502-1182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-1182?
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What is the minimum amount of 1502-1182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-1182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-1182
  • 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 1502-1182 available by request