1682-8047 Screening compound: butyl 4-(2,4-dichlorobenzamido)benzoate

1682-8047 Screening compound: butyl 4-(2,4-dichlorobenzamido)benzoate
1682-8047 Screening compound: butyl 4-(2,4-dichlorobenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-8047
butyl 4-(2,4-dichlorobenzamido)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

1682-8047

Molecular Formula

C18H17Cl2NO3 (C18 H17 Cl2 NO3)

Compound Name

butyl 4-(2,4-dichlorobenzamido)benzoate

IUPAC name

butyl 4-(24-dichlorobenzamido)benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(c(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C18H17Cl2NO3/c1-2-3-10-24-18(23)12-4-7-14(8-5-12)21-17(22)15-9-6-13(19)11-16(15)20/h4-9,11H,2-3,10H2,1H3,(H,21,22)

InChI Key

RXORUZHRQNOPPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00383035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.782

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.96

Polar Surface Area

44.377

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1682-8047 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-8047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-8047?
Check Price and Availability of 1682-8047, 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 1682-8047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-8047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-8047
  • 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 1682-8047 available by request