F222-0656 Screening compound: ethyl 3-[3-(2-butanamido-1,3-benzothiazol-6-yl)propanamido]benzoate

F222-0656 Screening compound: ethyl 3-[3-(2-butanamido-1,3-benzothiazol-6-yl)propanamido]benzoate
F222-0656 Screening compound: ethyl 3-[3-(2-butanamido-1,3-benzothiazol-6-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F222-0656
ethyl 3-[3-(2-butanamido-1,3-benzothiazol-6-yl)propanamido]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

F222-0656

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

ethyl 3-[3-(2-butanamido-1,3-benzothiazol-6-yl)propanamido]benzoate

IUPAC name

ethyl 3-[3-(2-butanamido-13-benzothiazol-6-yl)propanamido]benzoate

SMILES

CCCC(Nc1nc(ccc(CCC(Nc2cc(C(OCC)=O)ccc2)=O)c2)c2s1)=O

InChI

InChI=1S/C23H25N3O4S/c1-3-6-20(27)26-23-25-18-11-9-15(13-19(18)31-23)10-12-21(28)24-17-8-5-7-16(14-17)22(29)30-4-2/h5,7-9,11,13-14H,3-4,6,10,12H2,1-2H3,(H,24,28)(H,25,26,27)

InChI Key

JELADNXKAANWGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14944947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-4.91

Polar Surface Area

76.781

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F222-0656 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F222-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F222-0656?
Check Price and Availability of F222-0656, 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 F222-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F222-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F222-0656
  • 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 F222-0656 available by request