C066-3519 Screening compound: 3-[3-(dipropylamino)propyl]-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea

C066-3519 Screening compound: 3-[3-(dipropylamino)propyl]-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea
C066-3519 Screening compound: 3-[3-(dipropylamino)propyl]-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 C066-3519
3-[3-(dipropylamino)propyl]-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

C066-3519

Molecular Formula

C23H35N5OS (C23 H35 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H35N5OS/c1-3-13-27(14-4-2)15-8-12-24-23(30)25-18-10-11-20-19(17-18)22(29)28-16-7-5-6-9-21(28)26-20/h10-11,17H,3-9,12-16H2,1-2H3,(H2,24,25,30)

InChI Key

RGMLBAQIUSJODV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

0.755

Water Solubility, LogSw

-3.72

Polar Surface Area

50.896

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

10.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

References: we are preparing a list of scientific research reports with C066-3519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3519?
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What is the minimum amount of C066-3519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3519
  • 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 C066-3519 available by request