D647-0048 Screening compound: N-[2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

D647-0048 Screening compound: N-[2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
D647-0048 Screening compound: N-[2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0048
N-[2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)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

D647-0048

Molecular Formula

C20H20ClN3O2S (C20 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1noc(-c2cccs2)c1)NCC(c(cc1)ccc1Cl)N1CCCC1

InChI

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

InChI Key

LPZUHHSKODBMAE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD18078918

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

4.227

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-4.78

Polar Surface Area

50.561

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D647-0048 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D647-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0048?
Check Price and Availability of D647-0048, 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 D647-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0048
  • 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 D647-0048 available by request