T416-1205 Screening compound: N-(5-butyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-phenylurea

T416-1205 Screening compound: N-(5-butyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-phenylurea
T416-1205 Screening compound: N-(5-butyl-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 T416-1205
N-(5-butyl-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

T416-1205

Molecular Formula

C16H18N4O2S (C16 H18 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(Cc1c2nc(NC(Nc3ccccc3)=O)s1)C2=O

InChI

InChI=1S/C16H18N4O2S/c1-2-3-9-20-10-12-13(14(20)21)18-16(23-12)19-15(22)17-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,17,18,19,22)

InChI Key

DFGHRHRHTFSGPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-3.73

Polar Surface Area

60.345

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with T416-1205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-1205?
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What is the minimum amount of T416-1205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-1205
  • 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 T416-1205 available by request