0977-3344 Screening compound: 3,5-dimethoxy-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-1,3-thiazol-2-yl}benzamide

0977-3344 Screening compound: 3,5-dimethoxy-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-1,3-thiazol-2-yl}benzamide
0977-3344 Screening compound: 3,5-dimethoxy-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-1,3-thiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0977-3344
3,5-dimethoxy-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-1,3-thiazol-2-yl}benzamide

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

0977-3344

Molecular Formula

C29H32N2O3S (C29 H32 N2 O3 S)

Compound Name

3,5-dimethoxy-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-1,3-thiazol-2-yl}benzamide

IUPAC name

35-dimethoxy-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-13-thiazol-2-yl}benzamide

SMILES

Cc1ccc(C(CC(C2)C3)(CC2C2)CC23c2csc(NC(c3cc(OC)cc(OC)c3)=O)n2)cc1

InChI

InChI=1S/C29H32N2O3S/c1-18-4-6-22(7-5-18)28-12-19-8-20(13-28)15-29(14-19,17-28)25-16-35-27(30-25)31-26(32)21-9-23(33-2)11-24(10-21)34-3/h4-7,9-11,16,19-20H,8,12-15,17H2,1-3H3,(H,30,31,32)

InChI Key

YTDJCSANGZPIBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.290

Distribution Coefficient, logD

8.277

Water Solubility, LogSw

-5.64

Polar Surface Area

47.954

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

0977-3344 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0977-3344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0977-3344?
Check Price and Availability of 0977-3344, 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 0977-3344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0977-3344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0977-3344
  • 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 0977-3344 available by request