D754-0198 Screening compound: trans-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide

D754-0198 Screening compound: trans-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
D754-0198 Screening compound: trans-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D754-0198
trans-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide

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

D754-0198

Molecular Formula

C26H30N6O2 (C26 H30 N6 O2)

Compound Name

trans-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide

IUPAC name

(1r4r)-N-[(2S)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylpropyl]-4-[(1H-1234-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

SMILES

O=C([C@H]1CC[C@H](Cn2nnnc2)CC1)NC[C@@H](CN(Cc1c2cccc1)C2=O)c1ccccc1

InChI

InChI=1S/C26H30N6O2/c33-25(21-12-10-19(11-13-21)15-32-18-28-29-30-32)27-14-23(20-6-2-1-3-7-20)17-31-16-22-8-4-5-9-24(22)26(31)34/h1-9,18-19,21,23H,10-17H2,(H,27,33)/t19?,21?,23-/m0/s1

InChI Key

LVTPXPBKXOFICQ-IRSIHTCSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.14

Polar Surface Area

81.404

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

D754-0198 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D754-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D754-0198?
Check Price and Availability of D754-0198, 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 D754-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D754-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D754-0198
  • 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 D754-0198 available by request