D647-0045 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

D647-0045 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
D647-0045 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0045
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-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

D647-0045

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(thiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

Cc1ccc(C(CNC(c2noc(-c3cccs3)c2)=O)N2CCCCCC2)cc1

InChI

InChI=1S/C23H27N3O2S/c1-17-8-10-18(11-9-17)20(26-12-4-2-3-5-13-26)16-24-23(27)19-15-21(28-25-19)22-7-6-14-29-22/h6-11,14-15,20H,2-5,12-13,16H2,1H3,(H,24,27)/t20-/m0/s1

InChI Key

QCXLMNXGXCWJCZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD18079178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

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

4.994

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.56

Polar Surface Area

50.526

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

D647-0045 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D647-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0045?
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What is the minimum amount of D647-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0045
  • 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 D647-0045 available by request