8009-9710 Screening compound: 1,3,4-tris(acetyloxy)-1-[(2,4-dimethylphenyl)carbamoyl]butan-2-yl acetate

8009-9710 Screening compound: 1,3,4-tris(acetyloxy)-1-[(2,4-dimethylphenyl)carbamoyl]butan-2-yl acetate
8009-9710 Screening compound: 1,3,4-tris(acetyloxy)-1-[(2,4-dimethylphenyl)carbamoyl]butan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9710
1,3,4-tris(acetyloxy)-1-[(2,4-dimethylphenyl)carbamoyl]butan-2-yl 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

8009-9710

Molecular Formula

C21H27NO9 (C21 H27 NO9)

Compound Name

1,3,4-tris(acetyloxy)-1-[(2,4-dimethylphenyl)carbamoyl]butan-2-yl acetate

IUPAC name

134-tris(acetyloxy)-1-[(24-dimethylphenyl)carbamoyl]butan-2-yl acetate

SMILES

CC(OCC(C(C(C(Nc1c(C)cc(C)cc1)=O)OC(C)=O)OC(C)=O)OC(C)=O)=O

InChI

InChI=1S/C21H27NO9/c1-11-7-8-17(12(2)9-11)22-21(27)20(31-16(6)26)19(30-15(5)25)18(29-14(4)24)10-28-13(3)23/h7-9,18-20H,10H2,1-6H3,(H,22,27)

InChI Key

SNSYWTDXYZISJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01853137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.003

Distribution Coefficient, logD

2.003

Water Solubility, LogSw

-2.47

Polar Surface Area

105.553

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.60

8009-9710 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8009-9710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9710?
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What is the minimum amount of 8009-9710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9710
  • 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 8009-9710 available by request