C066-3536 Screening compound: 2-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}piperidine-1-carbothioamide

C066-3536 Screening compound: 2-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}piperidine-1-carbothioamide
C066-3536 Screening compound: 2-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3536
2-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}piperidine-1-carbothioamide

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

C066-3536

Molecular Formula

C20H26N4OS (C20 H26 N4 OS)

Compound Name

2-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}piperidine-1-carbothioamide

IUPAC name

2-methyl-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}piperidine-1-carbothioamide

SMILES

CC(CCCC1)N1C(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=S

InChI

InChI=1S/C20H26N4OS/c1-14-7-4-6-11-23(14)20(26)21-15-9-10-17-16(13-15)19(25)24-12-5-2-3-8-18(24)22-17/h9-10,13-14H,2-8,11-12H2,1H3,(H,21,26)/t14-/m0/s1

InChI Key

QBTODUNLTRQZEK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14715680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.74

Polar Surface Area

36.903

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

C066-3536 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-3536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3536?
Check Price and Availability of C066-3536, 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 C066-3536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3536
  • 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 C066-3536 available by request