3901-0218 Screening compound: 1-[3-chloro-4-(morpholin-4-yl)phenyl]-3-(furan-2-carbonyl)thiourea

3901-0218 Screening compound: 1-[3-chloro-4-(morpholin-4-yl)phenyl]-3-(furan-2-carbonyl)thiourea
3901-0218 Screening compound: 1-[3-chloro-4-(morpholin-4-yl)phenyl]-3-(furan-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3901-0218
1-[3-chloro-4-(morpholin-4-yl)phenyl]-3-(furan-2-carbonyl)thiourea

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

3901-0218

Molecular Formula

C16H16ClN3O3S (C16 H16 ClN3 O3 S)

Compound Name

1-[3-chloro-4-(morpholin-4-yl)phenyl]-3-(furan-2-carbonyl)thiourea

IUPAC name

1-[3-chloro-4-(morpholin-4-yl)phenyl]-3-(furan-2-carbonyl)thiourea

SMILES

O=C(c1ccco1)NC(Nc(cc1)cc(Cl)c1N1CCOCC1)=S

InChI

InChI=1S/C16H16ClN3O3S/c17-12-10-11(3-4-13(12)20-5-8-22-9-6-20)18-16(24)19-15(21)14-2-1-7-23-14/h1-4,7,10H,5-6,8-9H2,(H2,18,19,21,24)

InChI Key

DDJUHCYDEZCCGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02188283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.62

Polar Surface Area

52.878

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3901-0218 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3901-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3901-0218?
Check Price and Availability of 3901-0218, 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 3901-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3901-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3901-0218
  • 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 3901-0218 available by request