1291-5243 Screening compound: 4-methyl-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-1,3-thiazol-2-yl}benzamide

1291-5243 Screening compound: 4-methyl-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-1,3-thiazol-2-yl}benzamide
1291-5243 Screening compound: 4-methyl-N-{4-[3-(4-methylphenyl)adamantan-1-yl]-1,3-thiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1291-5243
4-methyl-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

1291-5243

Molecular Formula

C28H30N2OS (C28 H30 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(CC(C2)C3)(CC2C2)CC23c2csc(NC(c3ccc(C)cc3)=O)n2)cc1

InChI

InChI=1S/C28H30N2OS/c1-18-3-7-22(8-4-18)25(31)30-26-29-24(16-32-26)28-14-20-11-21(15-28)13-27(12-20,17-28)23-9-5-19(2)6-10-23/h3-10,16,20-21H,11-15,17H2,1-2H3,(H,29,30,31)

InChI Key

KYZNXPYYTJORFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.448

Distribution Coefficient, logD

8.243

Water Solubility, LogSw

-5.80

Polar Surface Area

32.866

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

1291-5243 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1291-5243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1291-5243?
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What is the minimum amount of 1291-5243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1291-5243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1291-5243
  • 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 1291-5243 available by request