3616-3742 Screening compound: 3-[5-(4-chlorophenyl)furan-2-carbonyl]-1-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

3616-3742 Screening compound: 3-[5-(4-chlorophenyl)furan-2-carbonyl]-1-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea
3616-3742 Screening compound: 3-[5-(4-chlorophenyl)furan-2-carbonyl]-1-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-3742
3-[5-(4-chlorophenyl)furan-2-carbonyl]-1-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}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

3616-3742

Molecular Formula

C25H17ClN4O3S (C25 H17 ClN4 O3 S)

Compound Name

3-[5-(4-chlorophenyl)furan-2-carbonyl]-1-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

IUPAC name

3-[5-(4-chlorophenyl)furan-2-carbonyl]-1-(2-methyl-3-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)thiourea

SMILES

Cc(c(-c1nc(nccc2)c2o1)ccc1)c1NC(NC(c1ccc(-c(cc2)ccc2Cl)o1)=O)=S

InChI

InChI=1S/C25H17ClN4O3S/c1-14-17(24-29-22-20(33-24)6-3-13-27-22)4-2-5-18(14)28-25(34)30-23(31)21-12-11-19(32-21)15-7-9-16(26)10-8-15/h2-13H,1H3,(H2,28,30,31,34)

InChI Key

GHLBUWNJJNMTKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05819624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.206

Distribution Coefficient, logD

6.206

Water Solubility, LogSw

-6.20

Polar Surface Area

68.126

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

3616-3742 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3616-3742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-3742?
Check Price and Availability of 3616-3742, 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 3616-3742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-3742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-3742
  • 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 3616-3742 available by request