D315-1995 Screening compound: N-[(4-bromophenyl)methyl]-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

D315-1995 Screening compound: N-[(4-bromophenyl)methyl]-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
D315-1995 Screening compound: N-[(4-bromophenyl)methyl]-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 D315-1995
N-[(4-bromophenyl)methyl]-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

D315-1995

Molecular Formula

C22H22BrN3O3S (C22 H22 BrN3 O3 S)

Compound Name

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

IUPAC name

N-[(4-bromophenyl)methyl]-2-methyl-5-(4-oxo-345678-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(C(C1=C2CCCC1)=NNC2=O)c1)c1S(NCc(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C22H22BrN3O3S/c1-14-6-9-16(21-18-4-2-3-5-19(18)22(27)26-25-21)12-20(14)30(28,29)24-13-15-7-10-17(23)11-8-15/h6-12,24H,2-5,13H2,1H3,(H,26,27)

InChI Key

SYTMAEVROPIFLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-5.26

Polar Surface Area

78.308

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D315-1995 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D315-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D315-1995?
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What is the minimum amount of D315-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D315-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D315-1995
  • 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 D315-1995 available by request