8004-8136 Screening compound: N-{4-(acetylamino)-2-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]phenyl}acetamide

8004-8136 Screening compound: N-{4-(acetylamino)-2-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]phenyl}acetamide
8004-8136 Screening compound: N-{4-(acetylamino)-2-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8136
N-{4-(acetylamino)-2-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]phenyl}acetamide

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

8004-8136

Molecular Formula

C22H33N3O12 (C22 H33 N3 O12)

Compound Name

N-{4-(acetylamino)-2-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]phenyl}acetamide

IUPAC name

N-(3-{[34-dihydroxy-6-(hydroxymethyl)-5-{[345-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-4-acetamidophenyl)acetamide

SMILES

CC(Nc(cc1)cc(NC(C(C2O)O)OC(CO)C2OC(C(C2O)O)OC(CO)C2O)c1NC(C)=O)=O

InChI

InChI=1S/C22H33N3O12/c1-8(28)23-10-3-4-11(24-9(2)29)12(5-10)25-21-18(33)17(32)20(14(7-27)35-21)37-22-19(34)16(31)15(30)13(6-26)36-22/h3-5,13-22,25-27,30-34H,6-7H2,1-2H3,(H,23,28)(H,24,29)

InChI Key

OOLYNDFUXLUWHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.52

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

10.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

-3.374

Distribution Coefficient, logD

-3.374

Water Solubility, LogSw

-1.56

Polar Surface Area

191.798

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

63.64

8004-8136 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8004-8136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8136?
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What is the minimum amount of 8004-8136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8136
  • 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 8004-8136 available by request