T416-0010 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(2-fluorophenyl)-3-methylurea

T416-0010 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(2-fluorophenyl)-3-methylurea
T416-0010 Screening compound: 3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(2-fluorophenyl)-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound T416-0010
3-{5-benzyl-4-oxo-4H,5H,6H-pyrrolo[3,4-d][1,3]thiazol-2-yl}-1-(2-fluorophenyl)-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

T416-0010

Molecular Formula

C20H17FN4O2S (C20 H17 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(Nc(cccc1)c1F)=O)c1nc(C(N(Cc2ccccc2)C2)=O)c2s1

InChI

InChI=1S/C20H17FN4O2S/c1-24(19(27)22-15-10-6-5-9-14(15)21)20-23-17-16(28-20)12-25(18(17)26)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,27)

InChI Key

CFMQCDKHVGGKHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.01

Polar Surface Area

51.058

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

T416-0010 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 T416-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T416-0010?
Check Price and Availability of T416-0010, 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 T416-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T416-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T416-0010
  • 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 T416-0010 available by request