C109-0374 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0374 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0374 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0374
N-[3-(azepan-1-yl)propyl]-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

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

C109-0374

Molecular Formula

C24H28Cl2N4O3 (C24 H28 Cl2 N4 O3)

Compound Name

N-[3-(azepan-1-yl)propyl]-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-3-(34-dichlorophenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

OC(C(NCCCN1CCCCCC1)=O)(c(cccc1)c1N1)N(c(cc2)cc(Cl)c2Cl)C1=O

InChI

InChI=1S/C24H28Cl2N4O3/c25-19-11-10-17(16-20(19)26)30-23(32)28-21-9-4-3-8-18(21)24(30,33)22(31)27-12-7-15-29-13-5-1-2-6-14-29/h3-4,8-11,16,33H,1-2,5-7,12-15H2,(H,27,31)(H,28,32)/t24-/m1/s1

InChI Key

MSWKUBWWBULKID-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14720163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.398

Distribution Coefficient, logD

1.769

Water Solubility, LogSw

-4.30

Polar Surface Area

71.260

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C109-0374 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C109-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0374?
Check Price and Availability of C109-0374, 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 C109-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0374
  • 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 C109-0374 available by request