D416-0484 Screening compound: 4-[5-amino-3-oxo-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]-N,N-diethylbenzene-1-sulfonamide

D416-0484 Screening compound: 4-[5-amino-3-oxo-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]-N,N-diethylbenzene-1-sulfonamide
D416-0484 Screening compound: 4-[5-amino-3-oxo-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]-N,N-diethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D416-0484
4-[5-amino-3-oxo-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]-N,N-diethylbenzene-1-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

D416-0484

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

4-[5-amino-3-oxo-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]-N,N-diethylbenzene-1-sulfonamide

IUPAC name

4-[5-amino-3-oxo-4-(4-oxo-34-dihydroquinazolin-2-yl)-23-dihydro-1H-pyrrol-1-yl]-NN-diethylbenzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1N(CC1=O)C(N)=C1C(N1)=Nc(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C22H23N5O4S/c1-3-26(4-2)32(30,31)15-11-9-14(10-12-15)27-13-18(28)19(20(27)23)21-24-17-8-6-5-7-16(17)22(29)25-21/h5-12H,3-4,13,23H2,1-2H3,(H,24,25,29)

InChI Key

DNNBYCCDTSVOQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

-0.299

Water Solubility, LogSw

-2.65

Polar Surface Area

102.720

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D416-0484 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D416-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D416-0484?
Check Price and Availability of D416-0484, 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 D416-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D416-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D416-0484
  • 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 D416-0484 available by request