6623-1961 Screening compound: 3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}benzoic acid

6623-1961 Screening compound: 3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}benzoic acid
6623-1961 Screening compound: 3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1961
3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}benzoic 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

6623-1961

Molecular Formula

C13H16N2O9 (C13 H16 N2 O9)

Compound Name

3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}benzoic acid

IUPAC name

3-nitro-5-{[345-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}benzoic acid

SMILES

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

InChI

InChI=1S/C13H16N2O9/c16-4-8-9(17)10(18)11(19)12(24-8)14-6-1-5(13(20)21)2-7(3-6)15(22)23/h1-3,8-12,14,16-19H,4H2,(H,20,21)

InChI Key

OMJDAMXBZQGOAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00555524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.28

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.332

Distribution Coefficient, logD

-3.639

Water Solubility, LogSw

-1.50

Polar Surface Area

144.711

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 6623-1961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1961?
Check Price and Availability of 6623-1961, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6623-1961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1961
  • 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 6623-1961 available by request