C648-0434 Screening compound: 3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(1-phenylethyl)propanamide

C648-0434 Screening compound: 3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(1-phenylethyl)propanamide
C648-0434 Screening compound: 3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(1-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0434
3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(1-phenylethyl)propanamide

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

C648-0434

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(1-phenylethyl)propanamide

IUPAC name

3-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(1-phenylethyl)propanamide

SMILES

CC(c1ccccc1)NC(CCNS(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C21H24N4O5S/c1-14(15-7-5-4-6-8-15)23-19(26)11-12-22-31(29,30)16-9-10-18-17(13-16)20(27)25(3)21(28)24(18)2/h4-10,13-14,22H,11-12H2,1-3H3,(H,23,26)/t14-/m0/s1

InChI Key

OKZCFBAGUYRYAL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14779272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.805

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-2.99

Polar Surface Area

96.576

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C648-0434 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C648-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0434?
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What is the minimum amount of C648-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0434
  • 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 C648-0434 available by request