3616-0688 Screening compound: 3-(furan-2-carbonyl)-1-[4-(phenylamino)phenyl]thiourea

3616-0688 Screening compound: 3-(furan-2-carbonyl)-1-[4-(phenylamino)phenyl]thiourea
3616-0688 Screening compound: 3-(furan-2-carbonyl)-1-[4-(phenylamino)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-0688
3-(furan-2-carbonyl)-1-[4-(phenylamino)phenyl]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

3616-0688

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

3-(furan-2-carbonyl)-1-[4-(phenylamino)phenyl]thiourea

IUPAC name

3-(furan-2-carbonyl)-1-[4-(phenylamino)phenyl]thiourea

SMILES

O=C(c1ccco1)NC(Nc(cc1)ccc1Nc1ccccc1)=S

InChI

InChI=1S/C18H15N3O2S/c22-17(16-7-4-12-23-16)21-18(24)20-15-10-8-14(9-11-15)19-13-5-2-1-3-6-13/h1-12,19H,(H2,20,21,22,24)

InChI Key

OPEMLMNLXRBGKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.985

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.26

Polar Surface Area

50.731

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3616-0688 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3616-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-0688?
Check Price and Availability of 3616-0688, 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 3616-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-0688
  • 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 3616-0688 available by request