D491-5018 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

D491-5018 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
D491-5018 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-5018
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-(4-methylphenyl)-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

D491-5018

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1cc(C(NCC(c2cccs2)N2CCCCCC2)=O)no1

InChI

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

InChI Key

KQYWNDGUNUAKES-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD12920965

Chemical and Physical Properties

Saltdata

HCl

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

4.854

Distribution Coefficient, logD

4.579

Water Solubility, LogSw

-4.48

Polar Surface Area

50.526

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

D491-5018 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D491-5018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-5018?
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What is the minimum amount of D491-5018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-5018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-5018
  • 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 D491-5018 available by request