T416-0147 Screening compound: N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-(2,5-dimethoxyphenyl)urea

T416-0147 Screening compound: N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-(2,5-dimethoxyphenyl)urea
T416-0147 Screening compound: N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-(2,5-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T416-0147
N-(5-benzyl-4-oxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-N'-(2,5-dimethoxyphenyl)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

T416-0147

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(NC(Nc2nc(C(N(Cc3ccccc3)C3)=O)c3s2)=O)c1OC

InChI

InChI=1S/C21H20N4O4S/c1-28-14-8-9-16(29-2)15(10-14)22-20(27)24-21-23-18-17(30-21)12-25(19(18)26)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,22,23,24,27)

InChI Key

KKSAZJMNVDBSFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

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

3.617

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.94

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

19.05

T416-0147 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 T416-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-0147?
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What is the minimum amount of T416-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-0147
  • 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 T416-0147 available by request