D754-0076 Screening compound: 3,4-dimethyl-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide

D754-0076 Screening compound: 3,4-dimethyl-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide
D754-0076 Screening compound: 3,4-dimethyl-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D754-0076
3,4-dimethyl-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide

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

D754-0076

Molecular Formula

C27H26N6O2 (C27 H26 N6 O2)

Compound Name

3,4-dimethyl-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide

IUPAC name

34-dimethyl-N-[(2S)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylpropyl]-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

Cc(cc1)c(C)c(-n2nnnc2)c1C(NC[C@@H](CN(Cc1c2cccc1)C2=O)c1ccccc1)=O

InChI

InChI=1S/C27H26N6O2/c1-18-12-13-24(25(19(18)2)33-17-29-30-31-33)26(34)28-14-22(20-8-4-3-5-9-20)16-32-15-21-10-6-7-11-23(21)27(32)35/h3-13,17,22H,14-16H2,1-2H3,(H,28,34)/t22-/m0/s1

InChI Key

OQHRBPQJKZBBLQ-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-4.60

Polar Surface Area

80.462

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with D754-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D754-0076?
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What is the minimum amount of D754-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D754-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D754-0076
  • 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 D754-0076 available by request