3729-2276 Screening compound: [5-(2-methyl-4-nitrophenyl)furan-2-yl]methanol

3729-2276 Screening compound: [5-(2-methyl-4-nitrophenyl)furan-2-yl]methanol
3729-2276 Screening compound: [5-(2-methyl-4-nitrophenyl)furan-2-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2276
[5-(2-methyl-4-nitrophenyl)furan-2-yl]methanol

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

3729-2276

Molecular Formula

C12H11NO4 (C12 H11 NO4)

Compound Name

[5-(2-methyl-4-nitrophenyl)furan-2-yl]methanol

IUPAC name

[5-(2-methyl-4-nitrophenyl)furan-2-yl]methanol

SMILES

Cc(cc(cc1)[N+]([O-])=O)c1-c1ccc(CO)o1

InChI

InChI=1S/C12H11NO4/c1-8-6-9(13(15)16)2-4-11(8)12-5-3-10(7-14)17-12/h2-6,14H,7H2,1H3

InChI Key

BGGGPABHVBOPET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01860295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-3.06

Polar Surface Area

58.305

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3729-2276 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3729-2276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2276?
Check Price and Availability of 3729-2276, 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 3729-2276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2276
  • 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 3729-2276 available by request