8019-8433 Screening compound: 4-(2-acetyl-1-acetamido-3-oxobutyl)-2-methoxyphenyl acetate

8019-8433 Screening compound: 4-(2-acetyl-1-acetamido-3-oxobutyl)-2-methoxyphenyl acetate
8019-8433 Screening compound: 4-(2-acetyl-1-acetamido-3-oxobutyl)-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8433
4-(2-acetyl-1-acetamido-3-oxobutyl)-2-methoxyphenyl acetate

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

8019-8433

Molecular Formula

C17H21NO6 (C17 H21 NO6)

Compound Name

4-(2-acetyl-1-acetamido-3-oxobutyl)-2-methoxyphenyl acetate

IUPAC name

4-(2-acetyl-1-acetamido-3-oxobutyl)-2-methoxyphenyl acetate

SMILES

CC(C(C(c(cc1)cc(OC)c1OC(C)=O)NC(C)=O)C(C)=O)=O

InChI

InChI=1S/C17H21NO6/c1-9(19)16(10(2)20)17(18-11(3)21)13-6-7-14(24-12(4)22)15(8-13)23-5/h6-8,16-17H,1-5H3,(H,18,21)/t17-/m1/s1

InChI Key

BQOQAEHUAWHFAG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD12033836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.590

Distribution Coefficient, logD

0.585

Water Solubility, LogSw

-1.80

Polar Surface Area

80.296

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

8019-8433 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8019-8433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8433?
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What is the minimum amount of 8019-8433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8433
  • 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 8019-8433 available by request