D332-0038 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide

D332-0038 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide
D332-0038 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0038
N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)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

D332-0038

Molecular Formula

C27H32N6O2 (C27 H32 N6 O2)

Compound Name

N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-13-benzodiazol-5-yl}-2-(4-methyl-1-oxo-12-dihydrophthalazin-2-yl)acetamide

SMILES

CCn1c(ccc(NC(CN2N=C(C)c(cccc3)c3C2=O)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C27H32N6O2/c1-3-32-24-13-12-20(16-23(24)29-25(32)17-31-14-8-4-5-9-15-31)28-26(34)18-33-27(35)22-11-7-6-10-21(22)19(2)30-33/h6-7,10-13,16H,3-5,8-9,14-15,17-18H2,1-2H3,(H,28,34)

InChI Key

PSXGOAMJCINYSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-3.79

Polar Surface Area

64.754

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

D332-0038 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D332-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0038?
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What is the minimum amount of D332-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0038
  • 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 D332-0038 available by request