8005-1977 Screening compound: 4-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]-2-nitro-1-benzenesulfonic acid

8005-1977 Screening compound: 4-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]-2-nitro-1-benzenesulfonic acid
8005-1977 Screening compound: 4-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]-2-nitro-1-benzenesulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1977
4-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]-2-nitro-1-benzenesulfonic acid

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

8005-1977

Molecular Formula

C18H26N2O15S (C18 H26 N2 O15 S)

Compound Name

4-[(3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)amino]-2-nitro-1-benzenesulfonic acid

IUPAC name

4-{[34-dihydroxy-6-(hydroxymethyl)-5-{[345-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-2-nitrobenzene-1-sulfonic acid

SMILES

[O-][N+](c(cc(cc1)NC(C(C2O)O)OC(CO)C2OC(C(C2O)O)OC(CO)C2O)c1S(O)(=O)=O)=O

InChI

InChI=1S/C18H26N2O15S/c21-4-8-11(23)12(24)15(27)18(34-8)35-16-9(5-22)33-17(14(26)13(16)25)19-6-1-2-10(36(30,31)32)7(3-6)20(28)29/h1-3,8-9,11-19,21-27H,4-5H2,(H,30,31,32)/t8?,9?,11?,12?,13?,14?,15?,16?,17-,18?/m0/s1

InChI Key

DPXGXGXNQSIQBM-OYUFJDDISA-N

MDL Number (MFCD)

MFCD00469590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.47

Hydrogen Bond Acceptors Count

19.00

Hydrogen Bond Donors Count

9.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

17

Partition Coefficient, logP

-4.489

Distribution Coefficient, logD

-18.189

Water Solubility, LogSw

-2.28

Polar Surface Area

222.164

Acid Dissociation Constant (pKa)

-2.97

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

66.67

8005-1977 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 8005-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1977?
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What is the minimum amount of 8005-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1977
  • 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 8005-1977 available by request