T416-0029 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(3-methoxyphenyl)-3-methylurea

T416-0029 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(3-methoxyphenyl)-3-methylurea
T416-0029 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(3-methoxyphenyl)-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound T416-0029
3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(3-methoxyphenyl)-3-methylurea

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

T416-0029

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(Nc1cc(OC)ccc1)=O)c1nc(C(N(Cc2ccccc2)C2)=O)c2s1

InChI

InChI=1S/C21H20N4O3S/c1-24(20(27)22-15-9-6-10-16(11-15)28-2)21-23-18-17(29-21)13-25(19(18)26)12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,22,27)

InChI Key

SLSMGNQOHVORGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-4.08

Polar Surface Area

59.300

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

T416-0029 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 T416-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-0029?
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What is the minimum amount of T416-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-0029
  • 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 T416-0029 available by request