7534-3285 Screening compound: 4-[2-({3-[(quinolin-8-yl)carbamoyl]propanoyl}oxy)acetyl]phenyl benzoate

7534-3285 Screening compound: 4-[2-({3-[(quinolin-8-yl)carbamoyl]propanoyl}oxy)acetyl]phenyl benzoate
7534-3285 Screening compound: 4-[2-({3-[(quinolin-8-yl)carbamoyl]propanoyl}oxy)acetyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7534-3285
4-[2-({3-[(quinolin-8-yl)carbamoyl]propanoyl}oxy)acetyl]phenyl benzoate

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

7534-3285

Molecular Formula

C28H22N2O6 (C28 H22 N2 O6)

Compound Name

4-[2-({3-[(quinolin-8-yl)carbamoyl]propanoyl}oxy)acetyl]phenyl benzoate

IUPAC name

4-[2-({3-[(quinolin-8-yl)carbamoyl]propanoyl}oxy)acetyl]phenyl benzoate

SMILES

O=C(COC(CCC(Nc1cccc2cccnc12)=O)=O)c(cc1)ccc1OC(c1ccccc1)=O

InChI

InChI=1S/C28H22N2O6/c31-24(19-11-13-22(14-12-19)36-28(34)21-6-2-1-3-7-21)18-35-26(33)16-15-25(32)30-23-10-4-8-20-9-5-17-29-27(20)23/h1-14,17H,15-16,18H2,(H,30,32)

InChI Key

BEBSBUXBWUDFKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03718781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.52

Polar Surface Area

86.111

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

7534-3285 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7534-3285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7534-3285?
Check Price and Availability of 7534-3285, 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 7534-3285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7534-3285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7534-3285
  • 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 7534-3285 available by request