C597-0417 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N,N-bis(2-methylpropyl)-2-phenylacetamide

C597-0417 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N,N-bis(2-methylpropyl)-2-phenylacetamide
C597-0417 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N,N-bis(2-methylpropyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0417
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N,N-bis(2-methylpropyl)-2-phenylacetamide

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

C597-0417

Molecular Formula

C26H34N4O5S (C26 H34 N4 O5 S)

Compound Name

2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N,N-bis(2-methylpropyl)-2-phenylacetamide

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-NN-bis(2-methylpropyl)-2-phenylacetamide

SMILES

CC(C)CN(CC(C)C)C(C(c1ccccc1)NS(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C26H34N4O5S/c1-17(2)15-30(16-18(3)4)25(32)23(19-10-8-7-9-11-19)27-36(34,35)20-12-13-22-21(14-20)24(31)29(6)26(33)28(22)5/h7-14,17-18,23,27H,15-16H2,1-6H3/t23-/m1/s1

InChI Key

WFSHIHSVSBSZGR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14774507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.02

Polar Surface Area

89.148

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

C597-0417 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C597-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0417?
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What is the minimum amount of C597-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0417
  • 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 C597-0417 available by request