T416-0145 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(3,4-dimethoxyphenyl)urea

T416-0145 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(3,4-dimethoxyphenyl)urea
T416-0145 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(3,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T416-0145
3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(3,4-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

T416-0145

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC(Nc1nc(C(N(Cc2ccccc2)C2)=O)c2s1)=O)c1)c1OC

InChI

InChI=1S/C21H20N4O4S/c1-28-15-9-8-14(10-16(15)29-2)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

GXWJQQGNAZUNSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620626

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

3.467

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.77

Polar Surface Area

75.356

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

T416-0145 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 T416-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-0145?
Check Price and Availability of T416-0145, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T416-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-0145
  • 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 T416-0145 available by request