D092-0081 Screening compound: 2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)acetamide

D092-0081 Screening compound: 2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)acetamide
D092-0081 Screening compound: 2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0081
2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)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

D092-0081

Molecular Formula

C25H32N6O4 (C25 H32 N6 O4)

Compound Name

2-[N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)acetamide

IUPAC name

2-[N-(34-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1234-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CN(C(Cn1nnc(-c2ccc(C)cc2)n1)=O)c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C25H32N6O4/c1-17(2)12-13-26-23(32)15-30(20-10-11-21(34-4)22(14-20)35-5)24(33)16-31-28-25(27-29-31)19-8-6-18(3)7-9-19/h6-11,14,17H,12-13,15-16H2,1-5H3,(H,26,32)

InChI Key

XVDVHQOAAKMIHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03120978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.24

Polar Surface Area

93.282

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D092-0081 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D092-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0081?
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What is the minimum amount of D092-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0081
  • 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 D092-0081 available by request