N014-0016 Screening compound: [6-({5-[(2-aminobenzoyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 2-aminobenzoate

N014-0016 Screening compound: [6-({5-[(2-aminobenzoyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 2-aminobenzoate
N014-0016 Screening compound: [6-({5-[(2-aminobenzoyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 2-aminobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound N014-0016
[6-({5-[(2-aminobenzoyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 2-aminobenzoate

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

N014-0016

Molecular Formula

C26H32N2O13 (C26 H32 N2 O13)

Compound Name

[6-({5-[(2-aminobenzoyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 2-aminobenzoate

IUPAC name

[6-({5-[(2-aminobenzoyloxy)methyl]-34-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-345-trihydroxyoxan-2-yl]methyl 2-aminobenzoate

SMILES

Nc(cccc1)c1C(OCC(C(C1O)O)OC1(CO)OC(C(C1O)O)OC(COC(c(cccc2)c2N)=O)C1O)=O

InChI

InChI=1S/C26H32N2O13/c27-14-7-3-1-5-12(14)23(35)37-9-16-18(30)20(32)21(33)25(39-16)41-26(11-29)22(34)19(31)17(40-26)10-38-24(36)13-6-2-4-8-15(13)28/h1-8,16-22,25,29-34H,9-11,27-28H2

InChI Key

XUFAVVLEPRJAEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.55

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

10.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

-0.459

Distribution Coefficient, logD

-0.459

Water Solubility, LogSw

-1.82

Polar Surface Area

201.661

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

46.20

N014-0016 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with N014-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N014-0016?
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What is the minimum amount of N014-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N014-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N014-0016
  • 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 N014-0016 available by request