1193-0067 Screening compound: ethyl 3-{N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]-N-phenylhydrazinecarbonyl}propanoate

1193-0067 Screening compound: ethyl 3-{N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]-N-phenylhydrazinecarbonyl}propanoate
1193-0067 Screening compound: ethyl 3-{N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]-N-phenylhydrazinecarbonyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1193-0067
ethyl 3-{N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]-N-phenylhydrazinecarbonyl}propanoate

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

1193-0067

Molecular Formula

C28H30N2O5 (C28 H30 N2 O5)

Compound Name

ethyl 3-{N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]-N-phenylhydrazinecarbonyl}propanoate

IUPAC name

ethyl 3-{N'-[2-hydroxy-22-bis(3-methylphenyl)acetyl]-N-phenylhydrazinecarbonyl}propanoate

SMILES

CCOC(CCC(N(c1ccccc1)NC(C(c1cc(C)ccc1)(c1cc(C)ccc1)O)=O)=O)=O

InChI

InChI=1S/C28H30N2O5/c1-4-35-26(32)17-16-25(31)30(24-14-6-5-7-15-24)29-27(33)28(34,22-12-8-10-20(2)18-22)23-13-9-11-21(3)19-23/h5-15,18-19,34H,4,16-17H2,1-3H3,(H,29,33)

InChI Key

AXQKKUGSIMJEJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.09

Polar Surface Area

74.192

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1193-0067 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1193-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1193-0067?
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What is the minimum amount of 1193-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1193-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1193-0067
  • 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 1193-0067 available by request