K783-4445 Screening compound: methyl 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-3-nitrobenzoate

K783-4445 Screening compound: methyl 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-3-nitrobenzoate
K783-4445 Screening compound: methyl 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-4445
methyl 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-3-nitrobenzoate

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

K783-4445

Molecular Formula

C15H20N2O6 (C15 H20 N2 O6)

Compound Name

methyl 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-3-nitrobenzoate

IUPAC name

methyl 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-3-nitrobenzoate

SMILES

CCC(C)C(C(OC)=O)Nc(ccc(C(OC)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H20N2O6/c1-5-9(2)13(15(19)23-4)16-11-7-6-10(14(18)22-3)8-12(11)17(20)21/h6-9,13,16H,5H2,1-4H3

InChI Key

HTVVCRYRDWVUSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-3.85

Polar Surface Area

84.827

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

K783-4445 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K783-4445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-4445?
Check Price and Availability of K783-4445, 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 K783-4445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-4445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-4445
  • 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 K783-4445 available by request