D092-0133 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-phenylethyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide

D092-0133 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-phenylethyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide
D092-0133 Screening compound: 2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-phenylethyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0133
2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-phenylethyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]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

D092-0133

Molecular Formula

C30H33N5O4 (C30 H33 N5 O4)

Compound Name

2-[2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-phenylethyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[2-(1H-123-benzotriazol-1-yl)-N-(2-phenylethyl)acetamido]-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]acetamide

SMILES

COc1ccc(C(C(NCC2OCCC2)=O)N(CCc2ccccc2)C(Cn2nnc3c2cccc3)=O)cc1

InChI

InChI=1S/C30H33N5O4/c1-38-24-15-13-23(14-16-24)29(30(37)31-20-25-10-7-19-39-25)34(18-17-22-8-3-2-4-9-22)28(36)21-35-27-12-6-5-11-26(27)32-33-35/h2-6,8-9,11-16,25,29H,7,10,17-21H2,1H3,(H,31,37)

InChI Key

PXQIDSRTHJQORV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.36

Polar Surface Area

80.922

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D092-0133 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D092-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0133?
Check Price and Availability of D092-0133, 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 D092-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0133
  • 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 D092-0133 available by request