Z601-1038 Screening compound: 1-cyclohexyl-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

Z601-1038 Screening compound: 1-cyclohexyl-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide
Z601-1038 Screening compound: 1-cyclohexyl-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-1038
1-cyclohexyl-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-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

Z601-1038

Molecular Formula

C16H22N4O (C16 H22 N4 O)

Compound Name

1-cyclohexyl-N-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

1-cyclohexyl-N-(propan-2-yl)-1H-123-benzotriazole-5-carboxamide

SMILES

CC(C)NC(c(cc1)cc2c1n(C1CCCCC1)nn2)=O

InChI

InChI=1S/C16H22N4O/c1-11(2)17-16(21)12-8-9-15-14(10-12)18-19-20(15)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,17,21)

InChI Key

MRKMJXXPPKHMJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.23

Polar Surface Area

49.293

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

Z601-1038 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Z601-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-1038?
Check Price and Availability of Z601-1038, 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 Z601-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-1038
  • 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 Z601-1038 available by request