3269-0446 Screening compound: (2E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoic acid

3269-0446 Screening compound: (2E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoic acid
3269-0446 Screening compound: (2E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0446
(2E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoic acid

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

3269-0446

Molecular Formula

C14H11NO5 (C14 H11 NO5)

Compound Name

(2E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoic acid

IUPAC name

(2E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoic acid

SMILES

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

InChI

InChI=1S/C14H11NO5/c1-9-8-10(15(18)19)2-5-12(9)13-6-3-11(20-13)4-7-14(16)17/h2-8H,1H3,(H,16,17)

InChI Key

CGSJRTMBJMQGOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00696012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

-0.336

Water Solubility, LogSw

-3.94

Polar Surface Area

69.574

Acid Dissociation Constant (pKa)

3.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3269-0446 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3269-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0446?
Check Price and Availability of 3269-0446, 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 3269-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0446
  • 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 3269-0446 available by request