8019-0006 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~2~-(5-methyl-3-isoxazolyl)ethanediamide

8019-0006 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~2~-(5-methyl-3-isoxazolyl)ethanediamide
8019-0006 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~2~-(5-methyl-3-isoxazolyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0006
N~1~-[(5-bromo-2-furyl)methyl]-N~2~-(5-methyl-3-isoxazolyl)ethanediamide

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

8019-0006

Molecular Formula

C11H10BrN3O4 (C11 H10 BrN3 O4)

Compound Name

N~1~-[(5-bromo-2-furyl)methyl]-N~2~-(5-methyl-3-isoxazolyl)ethanediamide

IUPAC name

N'-[(5-bromofuran-2-yl)methyl]-N-(5-methyl-12-oxazol-3-yl)ethanediamide

SMILES

Cc1cc(NC(C(NCc(o2)ccc2Br)=O)=O)no1

InChI

InChI=1S/C11H10BrN3O4/c1-6-4-9(15-19-6)14-11(17)10(16)13-5-7-2-3-8(12)18-7/h2-4H,5H2,1H3,(H,13,16)(H,14,15,17)

InChI Key

DVLRTAUXVNHYBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

-1.052

Water Solubility, LogSw

-2.84

Polar Surface Area

77.906

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8019-0006 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0006?
Check Price and Availability of 8019-0006, 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 8019-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0006
  • 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 8019-0006 available by request