D341-1898 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

D341-1898 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
D341-1898 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D341-1898
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5,6-trimethyl-1-benzofuran-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

D341-1898

Molecular Formula

C25H20N2O2S (C25 H20 N2 O2 S)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)phenyl]-356-trimethyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2-c2nc(cccc3)c3s2)=O)oc2c1cc(C)c(C)c2

InChI

InChI=1S/C25H20N2O2S/c1-14-12-19-16(3)23(29-21(19)13-15(14)2)24(28)26-18-10-8-17(9-11-18)25-27-20-6-4-5-7-22(20)30-25/h4-13H,1-3H3,(H,26,28)

InChI Key

BQQDZJNOIHGEQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.081

Distribution Coefficient, logD

7.081

Water Solubility, LogSw

-5.74

Polar Surface Area

41.304

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D341-1898 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D341-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D341-1898?
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What is the minimum amount of D341-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D341-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D341-1898
  • 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 D341-1898 available by request