8012-4934 Screening compound: 1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-propylacetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide

8012-4934 Screening compound: 1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-propylacetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide
8012-4934 Screening compound: 1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-propylacetamido]-N-(2-methylphenyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4934
1-[2-(5-amino-1H-1,2,3,4-tetrazol-1-yl)-N-propylacetamido]-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

8012-4934

Molecular Formula

C20H29N7O2 (C20 H29 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C1(CCCCC1)C(Nc1c(C)cccc1)=O)C(Cn1nnnc1N)=O

InChI

InChI=1S/C20H29N7O2/c1-3-13-26(17(28)14-27-19(21)23-24-25-27)20(11-7-4-8-12-20)18(29)22-16-10-6-5-9-15(16)2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3,(H,22,29)(H2,21,23,25)

InChI Key

VBMDGQOUPNYWEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-2.45

Polar Surface Area

97.759

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with 8012-4934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4934?
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What is the minimum amount of 8012-4934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4934
  • 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 8012-4934 available by request