T416-0479 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}urea

T416-0479 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}urea
T416-0479 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T416-0479
1-(2,5-dimethoxyphenyl)-3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}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

T416-0479

Molecular Formula

C21H19FN4O4S (C21 H19 FN4 O4 S)

Compound Name

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

IUPAC name

1-(25-dimethoxyphenyl)-3-{5-[(4-fluorophenyl)methyl]-4-oxo-4H5H6H-pyrrolo[34-d][13]thiazol-2-yl}urea

SMILES

COc(cc1)cc(NC(Nc2nc(C(N(Cc(cc3)ccc3F)C3)=O)c3s2)=O)c1OC

InChI

InChI=1S/C21H19FN4O4S/c1-29-14-7-8-16(30-2)15(9-14)23-20(28)25-21-24-18-17(31-21)11-26(19(18)27)10-12-3-5-13(22)6-4-12/h3-9H,10-11H2,1-2H3,(H2,23,24,25,28)

InChI Key

HPDHSUCUTWYYSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.02

Polar Surface Area

74.572

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

T416-0479 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 T416-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-0479?
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What is the minimum amount of T416-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-0479
  • 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 T416-0479 available by request