C066-3491 Screening compound: 1-[3-(4-methylpiperazin-1-yl)propyl]-3-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea

C066-3491 Screening compound: 1-[3-(4-methylpiperazin-1-yl)propyl]-3-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea
C066-3491 Screening compound: 1-[3-(4-methylpiperazin-1-yl)propyl]-3-{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 C066-3491
1-[3-(4-methylpiperazin-1-yl)propyl]-3-{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

C066-3491

Molecular Formula

C22H32N6OS (C22 H32 N6 OS)

Compound Name

1-[3-(4-methylpiperazin-1-yl)propyl]-3-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea

IUPAC name

1-[3-(4-methylpiperazin-1-yl)propyl]-3-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}thiourea

SMILES

CN1CCN(CCCNC(Nc(cc2)cc3c2N=C(CCCCC2)N2C3=O)=S)CC1

InChI

InChI=1S/C22H32N6OS/c1-26-12-14-27(15-13-26)10-5-9-23-22(30)24-17-7-8-19-18(16-17)21(29)28-11-4-2-3-6-20(28)25-19/h7-8,16H,2-6,9-15H2,1H3,(H2,23,24,30)

InChI Key

HTUCRIZYKWMMDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

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

1.364

Distribution Coefficient, logD

0.350

Water Solubility, LogSw

-2.42

Polar Surface Area

54.165

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with C066-3491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3491?
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What is the minimum amount of C066-3491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3491
  • 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 C066-3491 available by request