D486-0513 Screening compound: 5-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide

D486-0513 Screening compound: 5-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
D486-0513 Screening compound: 5-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D486-0513
5-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-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

D486-0513

Molecular Formula

C20H20ClN3O2S (C20 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1noc(-c(cc2)ccc2Cl)c1)NCC(c1cccs1)N1CCCC1

InChI

InChI=1S/C20H20ClN3O2S/c21-15-7-5-14(6-8-15)18-12-16(23-26-18)20(25)22-13-17(19-4-3-11-27-19)24-9-1-2-10-24/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,25)/t17-/m0/s1

InChI Key

QYTYDIKPEWFFOH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD10402975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.92

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

4.087

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-4.56

Polar Surface Area

50.561

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D486-0513 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 D486-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D486-0513?
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What is the minimum amount of D486-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D486-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D486-0513
  • 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 D486-0513 available by request