8012-7450 Screening compound: 1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-(3-chlorophenyl)acetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide

8012-7450 Screening compound: 1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-(3-chlorophenyl)acetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide
8012-7450 Screening compound: 1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-(3-chlorophenyl)acetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7450
1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-(3-chlorophenyl)acetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide

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

8012-7450

Molecular Formula

C23H26ClN7O2 (C23 H26 ClN7 O2)

Compound Name

1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-(3-chlorophenyl)acetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide

IUPAC name

1-[2-(5-amino-1H-1234-tetrazol-1-yl)-N-(3-chlorophenyl)acetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide

SMILES

Cc(cccc1)c1NC(C1(CCCCC1)N(C(Cn1nnnc1N)=O)c1cccc(Cl)c1)=O

InChI

InChI=1S/C23H26ClN7O2/c1-16-8-3-4-11-19(16)26-21(33)23(12-5-2-6-13-23)31(18-10-7-9-17(24)14-18)20(32)15-30-22(25)27-28-29-30/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,26,33)(H2,25,27,29)

InChI Key

BUWOXHWSOWMYDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.46

Polar Surface Area

97.029

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

8012-7450 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7450?
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What is the minimum amount of 8012-7450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7450
  • 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 8012-7450 available by request