3019-0138 Screening compound: 4-chlorophenyl 3-(azepane-1-sulfonyl)-4-chlorobenzoate

3019-0138 Screening compound: 4-chlorophenyl 3-(azepane-1-sulfonyl)-4-chlorobenzoate
3019-0138 Screening compound: 4-chlorophenyl 3-(azepane-1-sulfonyl)-4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3019-0138
4-chlorophenyl 3-(azepane-1-sulfonyl)-4-chlorobenzoate

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

3019-0138

Molecular Formula

C19H19Cl2NO4S (C19 H19 Cl2 NO4 S)

Compound Name

4-chlorophenyl 3-(azepane-1-sulfonyl)-4-chlorobenzoate

IUPAC name

4-chlorophenyl 3-(azepane-1-sulfonyl)-4-chlorobenzoate

SMILES

O=C(c(cc1)cc(S(N2CCCCCC2)(=O)=O)c1Cl)Oc(cc1)ccc1Cl

InChI

InChI=1S/C19H19Cl2NO4S/c20-15-6-8-16(9-7-15)26-19(23)14-5-10-17(21)18(13-14)27(24,25)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2

InChI Key

PYYGOTJYZYFJLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.99

Polar Surface Area

52.658

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3019-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3019-0138?
Check Price and Availability of 3019-0138, 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 3019-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3019-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3019-0138
  • 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 3019-0138 available by request