F222-0664 Screening compound: N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide

F222-0664 Screening compound: N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
F222-0664 Screening compound: N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F222-0664
N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide

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

F222-0664

Molecular Formula

C20H27N3O2S (C20 H27 N3 O2 S)

Compound Name

N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide

IUPAC name

N-{6-[3-(azepan-1-yl)-3-oxopropyl]-13-benzothiazol-2-yl}butanamide

SMILES

CCCC(Nc1nc(ccc(CCC(N2CCCCCC2)=O)c2)c2s1)=O

InChI

InChI=1S/C20H27N3O2S/c1-2-7-18(24)22-20-21-16-10-8-15(14-17(16)26-20)9-11-19(25)23-12-5-3-4-6-13-23/h8,10,14H,2-7,9,11-13H2,1H3,(H,21,22,24)

InChI Key

KNHPXMMKWRPWSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14944953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.03

Polar Surface Area

49.601

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with F222-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F222-0664?
Check Price and Availability of F222-0664, 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 F222-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F222-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F222-0664
  • 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 F222-0664 available by request