D165-0180 Screening compound: 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine

D165-0180 Screening compound: 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
D165-0180 Screening compound: 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound D165-0180
2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine

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

D165-0180

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine

IUPAC name

2-(4-tert-butylphenyl)-4-(34-dimethoxyphenyl)-7-methyl-1H-135-benzotriazepine

SMILES

CC(C)(C)c(cc1)ccc1C1=NC(c(cc2)cc(OC)c2OC)=Nc(cc(C)cc2)c2N1

InChI

InChI=1S/C27H29N3O2/c1-17-7-13-21-22(15-17)29-26(19-10-14-23(31-5)24(16-19)32-6)30-25(28-21)18-8-11-20(12-9-18)27(2,3)4/h7-16H,1-6H3,(H,28,29,30)

InChI Key

XULKTGDZUAAHSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.409

Distribution Coefficient, logD

6.322

Water Solubility, LogSw

-5.79

Polar Surface Area

46.736

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

D165-0180 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D165-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D165-0180?
Check Price and Availability of D165-0180, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D165-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D165-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D165-0180
  • 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 D165-0180 available by request