D345-0663 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide

D345-0663 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
D345-0663 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0663
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-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

D345-0663

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-(6-tert-butyl-4567-tetrahydro-13-benzothiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1nc(NC(c1c(C)c(cccc3)c3o1)=O)s2

InChI

InChI=1S/C21H24N2O2S/c1-12-14-7-5-6-8-16(14)25-18(12)19(24)23-20-22-15-10-9-13(21(2,3)4)11-17(15)26-20/h5-8,13H,9-11H2,1-4H3,(H,22,23,24)/t13-/m1/s1

InChI Key

VQMOUXKDTOQUJX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14820959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

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

6.517

Distribution Coefficient, logD

5.421

Water Solubility, LogSw

-5.91

Polar Surface Area

43.323

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D345-0663 in Drug Discovery

Included in Screening Libraries

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

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 D345-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0663?
Check Price and Availability of D345-0663, 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 D345-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0663
  • 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 D345-0663 available by request