1502-1181 Screening compound: 1-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-3-(prop-2-en-1-yl)thiourea

1502-1181 Screening compound: 1-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-3-(prop-2-en-1-yl)thiourea
1502-1181 Screening compound: 1-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-3-(prop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-1181
1-[(E)-{[5-(2-nitrophenyl)furan-2-yl]methylidene}amino]-3-(prop-2-en-1-yl)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

1502-1181

Molecular Formula

C15H14N4O3S (C15 H14 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCNC(N/N=C/c1ccc(-c(cccc2)c2[N+]([O-])=O)o1)=S

InChI

InChI=1S/C15H14N4O3S/c1-2-9-16-15(23)18-17-10-11-7-8-14(22-11)12-5-3-4-6-13(12)19(20)21/h2-8,10H,1,9H2,(H2,16,18,23)

InChI Key

ZRSKZMMPSPNTAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-4.05

Polar Surface Area

73.371

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1502-1181 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 1502-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-1181?
Check Price and Availability of 1502-1181, 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 1502-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-1181
  • 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 1502-1181 available by request