6623-1945 Screening compound: 3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-5-nitrobenzoic acid

6623-1945 Screening compound: 3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-5-nitrobenzoic acid
6623-1945 Screening compound: 3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-5-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1945
3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-5-nitrobenzoic 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

6623-1945

Molecular Formula

C19H26N2O14 (C19 H26 N2 O14)

Compound Name

3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-5-nitrobenzoic acid

IUPAC name

3-{[34-dihydroxy-6-(hydroxymethyl)-5-{[345-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-5-nitrobenzoic acid

SMILES

[O-][N+](c1cc(NC(C(C2O)O)OC(CO)C2OC(C(C2O)O)OC(CO)C2O)cc(C(O)=O)c1)=O

InChI

InChI=1S/C19H26N2O14/c22-4-9-11(24)12(25)15(28)19(34-9)35-16-10(5-23)33-17(14(27)13(16)26)20-7-1-6(18(29)30)2-8(3-7)21(31)32/h1-3,9-17,19-20,22-28H,4-5H2,(H,29,30)

InChI Key

WPAMIQRNOLMGDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01001026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.42

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

9.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

-1.409

Distribution Coefficient, logD

-4.715

Water Solubility, LogSw

-1.50

Polar Surface Area

208.459

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

63.20

6623-1945 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 6623-1945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1945?
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What is the minimum amount of 6623-1945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1945
  • 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 6623-1945 available by request