5008-0281 Screening compound: [(E)-{4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene}amino]thiourea

5008-0281 Screening compound: [(E)-{4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene}amino]thiourea
5008-0281 Screening compound: [(E)-{4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene}amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5008-0281
[(E)-{4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-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

5008-0281

Molecular Formula

C18H18BrN3O2S (C18 H18 BrN3 O2 S)

Compound Name

[(E)-{4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene}amino]thiourea

IUPAC name

[(E)-{4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene}amino]thiourea

SMILES

C/C(/CCc1c(-c2ccc(C)o2)c(cc(cc2)Br)c2o1)=N\NC(N)=S

InChI

InChI=1S/C18H18BrN3O2S/c1-10(21-22-18(20)25)3-6-16-17(15-7-4-11(2)23-15)13-9-12(19)5-8-14(13)24-16/h4-5,7-9H,3,6H2,1-2H3,(H3,20,22,25)

InChI Key

IIVAGZZFZTXRGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

4.852

Water Solubility, LogSw

-4.96

Polar Surface Area

56.933

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5008-0281 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5008-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5008-0281?
Check Price and Availability of 5008-0281, 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 5008-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5008-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5008-0281
  • 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 5008-0281 available by request