8018-9869 Screening compound: 4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanoate

8018-9869 Screening compound: 4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanoate
8018-9869 Screening compound: 4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9869
4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanoate

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

8018-9869

Molecular Formula

C24H28N2O11S (C24 H28 N2 O11 S)

Compound Name

4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanoate

IUPAC name

45-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl 3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)propanoate

SMILES

CC(NC(C1OC(C)=O)C(OC(CCN(c(cccc2)c2S2)C2=O)=O)OC(COC(C)=O)C1OC(C)=O)=O

InChI

InChI=1S/C24H28N2O11S/c1-12(27)25-20-22(35-15(4)30)21(34-14(3)29)17(11-33-13(2)28)36-23(20)37-19(31)9-10-26-16-7-5-6-8-18(16)38-24(26)32/h5-8,17,20-23H,9-11H2,1-4H3,(H,25,27)

InChI Key

YLWMXRJBTNFXGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05900589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.56

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.260

Distribution Coefficient, logD

1.260

Water Solubility, LogSw

-2.06

Polar Surface Area

131.741

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8018-9869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9869?
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What is the minimum amount of 8018-9869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9869
  • 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 8018-9869 available by request