D411-0598 Screening compound: N-{3-[(3-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide

D411-0598 Screening compound: N-{3-[(3-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide
D411-0598 Screening compound: N-{3-[(3-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0598
N-{3-[(3-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide

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

D411-0598

Molecular Formula

C23H26FN3OS2 (C23 H26 FN3 OS2)

Compound Name

N-{3-[(3-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}thiophene-2-carboxamide

IUPAC name

N-{3-[(3-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-45-dimethylthiophen-2-yl}thiophene-2-carboxamide

SMILES

Cc1c(C)sc(NC(c2cccs2)=O)c1C(c1cc(F)ccc1)N1CCN(C)CC1

InChI

InChI=1S/C23H26FN3OS2/c1-15-16(2)30-23(25-22(28)19-8-5-13-29-19)20(15)21(17-6-4-7-18(24)14-17)27-11-9-26(3)10-12-27/h4-8,13-14,21H,9-12H2,1-3H3,(H,25,28)/t21-/m1/s1

InChI Key

YXQRRCLXUFNMHY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09540530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.52

Polar Surface Area

30.372

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

D411-0598 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D411-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0598?
Check Price and Availability of D411-0598, 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 D411-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0598
  • 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 D411-0598 available by request