C597-0763 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide

C597-0763 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide
C597-0763 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0763
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide

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

C597-0763

Molecular Formula

C23H35N5O5S (C23 H35 N5 O5 S)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamide

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-2-(N-methyl13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)acetamide

SMILES

CC1CN(CCCNC(CN(C)S(c(cc2)cc(C(N3C)=O)c2N(C)C3=O)(=O)=O)=O)CC(C)C1

InChI

InChI=1S/C23H35N5O5S/c1-16-11-17(2)14-28(13-16)10-6-9-24-21(29)15-25(3)34(32,33)18-7-8-20-19(12-18)22(30)27(5)23(31)26(20)4/h7-8,12,16-17H,6,9-11,13-15H2,1-5H3,(H,24,29)

InChI Key

BMSIDNLZSRBWTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.520

Distribution Coefficient, logD

-1.085

Water Solubility, LogSw

-2.73

Polar Surface Area

92.068

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.90

C597-0763 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C597-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0763?
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What is the minimum amount of C597-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0763
  • 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 C597-0763 available by request