K229-1036 Screening compound: methyl 4-[(1E)-3-(6-nitro-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]benzoate

K229-1036 Screening compound: methyl 4-[(1E)-3-(6-nitro-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]benzoate
K229-1036 Screening compound: methyl 4-[(1E)-3-(6-nitro-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K229-1036
methyl 4-[(1E)-3-(6-nitro-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]benzoate

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

K229-1036

Molecular Formula

C20H13NO7 (C20 H13 NO7)

Compound Name

methyl 4-[(1E)-3-(6-nitro-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]benzoate

IUPAC name

methyl 4-[(1E)-3-(6-nitro-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]benzoate

SMILES

COC(c1ccc(/C=C/C(C2=Cc(cc(cc3)[N+]([O-])=O)c3OC2=O)=O)cc1)=O

InChI

InChI=1S/C20H13NO7/c1-27-19(23)13-5-2-12(3-6-13)4-8-17(22)16-11-14-10-15(21(25)26)7-9-18(14)28-20(16)24/h2-11H,1H3

InChI Key

LUYGWMWDYXVZNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.29

Polar Surface Area

88.691

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K229-1036 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K229-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K229-1036?
Check Price and Availability of K229-1036, 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 K229-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K229-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K229-1036
  • 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 K229-1036 available by request