F127-0505 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide

F127-0505 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide
F127-0505 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F127-0505
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide

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

F127-0505

Molecular Formula

C24H23N5O2S (C24 H23 N5 O2 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-({5-oxo-5H-[134]thiadiazolo[23-b]quinazolin-2-yl}amino)benzamide

SMILES

O=C(c1cccc(NC(SC2=Nc3c4cccc3)=NN2C4=O)c1)NCCC1=CCCCC1

InChI

InChI=1S/C24H23N5O2S/c30-21(25-14-13-16-7-2-1-3-8-16)17-9-6-10-18(15-17)26-23-28-29-22(31)19-11-4-5-12-20(19)27-24(29)32-23/h4-7,9-12,15H,1-3,8,13-14H2,(H,25,30)(H,26,28)

InChI Key

NNYREUMVQYDXDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.26

Polar Surface Area

71.314

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F127-0505 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 F127-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F127-0505?
Check Price and Availability of F127-0505, 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 F127-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F127-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F127-0505
  • 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 F127-0505 available by request