8018-3909 Screening compound: methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate

8018-3909 Screening compound: methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
8018-3909 Screening compound: methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3909
methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate

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

8018-3909

Molecular Formula

C15H19NO7 (C15 H19 NO7)

Compound Name

methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate

IUPAC name

methyl 2-acetyl-3-(34-dimethoxyphenyl)-4-nitrobutanoate

SMILES

CC(C(C(C[N+]([O-])=O)c(cc1)cc(OC)c1OC)C(OC)=O)=O

InChI

InChI=1S/C15H19NO7/c1-9(17)14(15(18)23-4)11(8-16(19)20)10-5-6-12(21-2)13(7-10)22-3/h5-7,11,14H,8H2,1-4H3

InChI Key

UHBZYRRWWAZFKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.143

Distribution Coefficient, logD

-1.129

Water Solubility, LogSw

-2.27

Polar Surface Area

88.148

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

8018-3909 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8018-3909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3909?
Check Price and Availability of 8018-3909, 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 8018-3909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3909
  • 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 8018-3909 available by request