8009-9690 Screening compound: 1,3,4-tris(acetyloxy)-1-[(2,4,6-trichlorophenyl)carbamoyl]butan-2-yl acetate

8009-9690 Screening compound: 1,3,4-tris(acetyloxy)-1-[(2,4,6-trichlorophenyl)carbamoyl]butan-2-yl acetate
8009-9690 Screening compound: 1,3,4-tris(acetyloxy)-1-[(2,4,6-trichlorophenyl)carbamoyl]butan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9690
1,3,4-tris(acetyloxy)-1-[(2,4,6-trichlorophenyl)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

8009-9690

Molecular Formula

C19H20Cl3NO9 (C19 H20 Cl3 NO9)

Compound Name

1,3,4-tris(acetyloxy)-1-[(2,4,6-trichlorophenyl)carbamoyl]butan-2-yl acetate

IUPAC name

134-tris(acetyloxy)-1-[(246-trichlorophenyl)carbamoyl]butan-2-yl acetate

SMILES

CC(OCC(C(C(C(Nc(c(Cl)cc(Cl)c1)c1Cl)=O)OC(C)=O)OC(C)=O)OC(C)=O)=O

InChI

InChI=1S/C19H20Cl3NO9/c1-8(24)29-7-15(30-9(2)25)17(31-10(3)26)18(32-11(4)27)19(28)23-16-13(21)5-12(20)6-14(16)22/h5-6,15,17-18H,7H2,1-4H3,(H,23,28)

InChI Key

DZVCIZYWXBFEKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01952146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.73

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

2.724

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-3.29

Polar Surface Area

104.855

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.10

8009-9690 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8009-9690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9690?
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What is the minimum amount of 8009-9690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9690
  • 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 8009-9690 available by request