D315-1856 Screening compound: N-cyclopentyl-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

D315-1856 Screening compound: N-cyclopentyl-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
D315-1856 Screening compound: N-cyclopentyl-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D315-1856
N-cyclopentyl-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-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

D315-1856

Molecular Formula

C20H25N3O3S (C20 H25 N3 O3 S)

Compound Name

N-cyclopentyl-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

IUPAC name

N-cyclopentyl-2-methyl-5-(4-oxo-345678-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(C(C1=C2CCCC1)=NNC2=O)c1)c1S(NC1CCCC1)(=O)=O

InChI

InChI=1S/C20H25N3O3S/c1-13-10-11-14(12-18(13)27(25,26)23-15-6-2-3-7-15)19-16-8-4-5-9-17(16)20(24)22-21-19/h10-12,15,23H,2-9H2,1H3,(H,22,24)

InChI Key

YXCQTCJUQQOIKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.355

Water Solubility, LogSw

-4.22

Polar Surface Area

78.613

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D315-1856 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D315-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D315-1856?
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What is the minimum amount of D315-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D315-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D315-1856
  • 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 D315-1856 available by request