3952-0705 Screening compound: 3,4-bis[4-(acetyloxy)benzamido]benzoic acid

3952-0705 Screening compound: 3,4-bis[4-(acetyloxy)benzamido]benzoic acid
3952-0705 Screening compound: 3,4-bis[4-(acetyloxy)benzamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-0705
3,4-bis[4-(acetyloxy)benzamido]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

3952-0705

Molecular Formula

C25H20N2O8 (C25 H20 N2 O8)

Compound Name

3,4-bis[4-(acetyloxy)benzamido]benzoic acid

IUPAC name

34-bis[4-(acetyloxy)benzamido]benzoic acid

SMILES

CC(Oc(cc1)ccc1C(Nc(ccc(C(O)=O)c1)c1NC(c(cc1)ccc1OC(C)=O)=O)=O)=O

InChI

InChI=1S/C25H20N2O8/c1-14(28)34-19-8-3-16(4-9-19)23(30)26-21-12-7-18(25(32)33)13-22(21)27-24(31)17-5-10-20(11-6-17)35-15(2)29/h3-13H,1-2H3,(H,26,30)(H,27,31)(H,32,33)

InChI Key

UHHVHDUVMGNDJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.44

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

0.892

Water Solubility, LogSw

-3.37

Polar Surface Area

114.935

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 3952-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-0705?
Check Price and Availability of 3952-0705, 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 3952-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-0705
  • 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 3952-0705 available by request