T416-0177 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)urea

T416-0177 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)urea
T416-0177 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T416-0177
3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(2,4-difluorophenyl)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

T416-0177

Molecular Formula

C19H14F2N4O2S (C19 H14 F2 N4 O2 S)

Compound Name

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

IUPAC name

3-{5-benzyl-4-oxo-4H5H6H-pyrrolo[34-d][13]thiazol-2-yl}-1-(24-difluorophenyl)urea

SMILES

O=C(Nc1nc(C(N(Cc2ccccc2)C2)=O)c2s1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C19H14F2N4O2S/c20-12-6-7-14(13(21)8-12)22-18(27)24-19-23-16-15(28-19)10-25(17(16)26)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,22,23,24,27)

InChI Key

RUNOJJJZJWAILF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.41

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

3.849

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.06

Polar Surface Area

59.398

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

T416-0177 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with T416-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-0177?
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What is the minimum amount of T416-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-0177
  • 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 T416-0177 available by request