C066-3545 Screening compound: 3-(3-methoxypropyl)-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea

C066-3545 Screening compound: 3-(3-methoxypropyl)-1-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}thiourea
C066-3545 Screening compound: 3-(3-methoxypropyl)-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 C066-3545
3-(3-methoxypropyl)-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

C066-3545

Molecular Formula

C18H24N4O2S (C18 H24 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCNC(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=S

InChI

InChI=1S/C18H24N4O2S/c1-24-11-5-9-19-18(25)20-13-7-8-15-14(12-13)17(23)22-10-4-2-3-6-16(22)21-15/h7-8,12H,2-6,9-11H2,1H3,(H2,19,20,25)

InChI Key

AUCLOKIFLGJCEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.948

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.98

Polar Surface Area

55.320

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C066-3545 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C066-3545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3545?
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What is the minimum amount of C066-3545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3545
  • 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 C066-3545 available by request