F781-0197 Screening compound: 1-(4-bromo-3-methylphenyl)-3-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

F781-0197 Screening compound: 1-(4-bromo-3-methylphenyl)-3-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea
F781-0197 Screening compound: 1-(4-bromo-3-methylphenyl)-3-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F781-0197
1-(4-bromo-3-methylphenyl)-3-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]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

F781-0197

Molecular Formula

C22H21BrN6OS (C22 H21 BrN6 OS)

Compound Name

1-(4-bromo-3-methylphenyl)-3-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

IUPAC name

1-(4-bromo-3-methylphenyl)-3-[2-({6-ethyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

SMILES

CCc(c(C)nc1ncnn11)c1Sc(cccc1)c1NC(Nc(cc1)cc(C)c1Br)=O

InChI

InChI=1S/C22H21BrN6OS/c1-4-16-14(3)26-21-24-12-25-29(21)20(16)31-19-8-6-5-7-18(19)28-22(30)27-15-9-10-17(23)13(2)11-15/h5-12H,4H2,1-3H3,(H2,27,28,30)

InChI Key

QPAQSIYHCPSIQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14966389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.829

Distribution Coefficient, logD

5.829

Water Solubility, LogSw

-5.43

Polar Surface Area

63.901

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F781-0197 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 F781-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F781-0197?
Check Price and Availability of F781-0197, 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 F781-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F781-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F781-0197
  • 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 F781-0197 available by request