C066-3552 Screening compound: 3-[2-(dipropylamino)ethyl]-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea

C066-3552 Screening compound: 3-[2-(dipropylamino)ethyl]-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea
C066-3552 Screening compound: 3-[2-(dipropylamino)ethyl]-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3552
3-[2-(dipropylamino)ethyl]-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea

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

C066-3552

Molecular Formula

C22H33N5OS (C22 H33 N5 OS)

Compound Name

3-[2-(dipropylamino)ethyl]-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea

IUPAC name

3-[2-(dipropylamino)ethyl]-1-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}thiourea

SMILES

CCCN(CCC)CCNC(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=S

InChI

InChI=1S/C22H33N5OS/c1-3-12-26(13-4-2)15-11-23-22(29)24-17-9-10-19-18(16-17)21(28)27-14-7-5-6-8-20(27)25-19/h9-10,16H,3-8,11-15H2,1-2H3,(H2,23,24,29)

InChI Key

XPKJIMRXSNRCIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

-0.154

Water Solubility, LogSw

-3.58

Polar Surface Area

50.896

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

10.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

C066-3552 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C066-3552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3552?
Check Price and Availability of C066-3552, 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 C066-3552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3552
  • 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 C066-3552 available by request