D390-1344 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-4-fluorobenzamide

D390-1344 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-4-fluorobenzamide
D390-1344 Screening compound: N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-1344
N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-4-fluorobenzamide

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

D390-1344

Molecular Formula

C25H22FN3O3S2 (C25 H22 FN3 O3 S2)

Compound Name

N-(4-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-4-fluorobenzamide

IUPAC name

N-(4-{[4-(13-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1F)Nc(cc1)ccc1S(N(CC1)CCC1c1nc(cccc2)c2s1)(=O)=O

InChI

InChI=1S/C25H22FN3O3S2/c26-19-7-5-17(6-8-19)24(30)27-20-9-11-21(12-10-20)34(31,32)29-15-13-18(14-16-29)25-28-22-3-1-2-4-23(22)33-25/h1-12,18H,13-16H2,(H,27,30)

InChI Key

JOCYGWJFLQRRSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

4.960

Water Solubility, LogSw

-5.22

Polar Surface Area

64.489

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D390-1344 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D390-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-1344?
Check Price and Availability of D390-1344, 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 D390-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-1344
  • 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 D390-1344 available by request