T416-0532 Screening compound: 3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-[(furan-2-yl)methyl]urea

T416-0532 Screening compound: 3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-[(furan-2-yl)methyl]urea
T416-0532 Screening compound: 3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-[(furan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T416-0532
3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-[(furan-2-yl)methyl]urea

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

T416-0532

Molecular Formula

C18H15FN4O3S (C18 H15 FN4 O3 S)

Compound Name

3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-[(furan-2-yl)methyl]urea

IUPAC name

3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H5H6H-pyrrolo[34-d][13]thiazol-2-yl}-1-[(furan-2-yl)methyl]urea

SMILES

O=C(NCc1ccco1)Nc1nc(C(N(Cc(cc2)ccc2F)C2)=O)c2s1

InChI

InChI=1S/C18H15FN4O3S/c19-12-5-3-11(4-6-12)9-23-10-14-15(16(23)24)21-18(27-14)22-17(25)20-8-13-2-1-7-26-13/h1-7H,8-10H2,(H2,20,21,22,25)

InChI Key

PSZUCJYYDJISRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.24

Polar Surface Area

69.166

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

T416-0532 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T416-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-0532?
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What is the minimum amount of T416-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-0532
  • 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 T416-0532 available by request