D092-0075 Screening compound: N-(3-methylbutyl)-2-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-(quinolin-3-yl)acetamido}propanamide

D092-0075 Screening compound: N-(3-methylbutyl)-2-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-(quinolin-3-yl)acetamido}propanamide
D092-0075 Screening compound: N-(3-methylbutyl)-2-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-(quinolin-3-yl)acetamido}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0075
N-(3-methylbutyl)-2-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-(quinolin-3-yl)acetamido}propanamide

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

D092-0075

Molecular Formula

C27H31N7O2 (C27 H31 N7 O2)

Compound Name

N-(3-methylbutyl)-2-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-(quinolin-3-yl)acetamido}propanamide

IUPAC name

N-(3-methylbutyl)-2-{2-[5-(4-methylphenyl)-2H-1234-tetrazol-2-yl]-N-(quinolin-3-yl)acetamido}propanamide

SMILES

CC(C)CCNC(C(C)N(C(Cn1nnc(-c2ccc(C)cc2)n1)=O)c1cc2ccccc2nc1)=O

InChI

InChI=1S/C27H31N7O2/c1-18(2)13-14-28-27(36)20(4)34(23-15-22-7-5-6-8-24(22)29-16-23)25(35)17-33-31-26(30-32-33)21-11-9-19(3)10-12-21/h5-12,15-16,18,20H,13-14,17H2,1-4H3,(H,28,36)/t20-/m0/s1

InChI Key

UUHAUDZRDFTNOI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03121007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.02

Polar Surface Area

86.559

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D092-0075 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D092-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0075?
Check Price and Availability of D092-0075, 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 D092-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0075
  • 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 D092-0075 available by request