T416-0131 Screening compound: N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-phenylurea

T416-0131 Screening compound: N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-phenylurea
T416-0131 Screening compound: N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound T416-0131
N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-phenylurea

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

T416-0131

Molecular Formula

C19H16N4O2S (C19 H16 N4 O2 S)

Compound Name

N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-phenylurea

IUPAC name

3-{5-benzyl-4-oxo-4H5H6H-pyrrolo[34-d][13]thiazol-2-yl}-1-phenylurea

SMILES

O=C(Nc1nc(C(N(Cc2ccccc2)C2)=O)c2s1)Nc1ccccc1

InChI

InChI=1S/C19H16N4O2S/c24-17-16-15(12-23(17)11-13-7-3-1-4-8-13)26-19(21-16)22-18(25)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,20,21,22,25)

InChI Key

JYHKAFZHWIGZMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.03

Polar Surface Area

60.095

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

T416-0131 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with T416-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-0131?
Check Price and Availability of T416-0131, 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 T416-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-0131
  • 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 T416-0131 available by request