8019-3991 Screening compound: N-[3-(adamantan-1-yloxy)propyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

8019-3991 Screening compound: N-[3-(adamantan-1-yloxy)propyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
8019-3991 Screening compound: N-[3-(adamantan-1-yloxy)propyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3991
N-[3-(adamantan-1-yloxy)propyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

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

8019-3991

Molecular Formula

C22H29N3O5S (C22 H29 N3 O5 S)

Compound Name

N-[3-(adamantan-1-yloxy)propyl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-[3-(adamantan-1-yloxy)propyl]-3-methyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CN(C(c(cc(cc1)S(NCCCOC2(CC(C3)C4)CC4CC3C2)(=O)=O)c1N1)=O)C1=O

InChI

InChI=1S/C22H29N3O5S/c1-25-20(26)18-10-17(3-4-19(18)24-21(25)27)31(28,29)23-5-2-6-30-22-11-14-7-15(12-22)9-16(8-14)13-22/h3-4,10,14-16,23H,2,5-9,11-13H2,1H3,(H,24,27)

InChI Key

OPQKQSPUCMUQEU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-4.02

Polar Surface Area

88.378

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

8019-3991 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-3991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3991?
Check Price and Availability of 8019-3991, 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 8019-3991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3991
  • 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 8019-3991 available by request