7111-0200 Screening compound: 1-hexyl-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

7111-0200 Screening compound: 1-hexyl-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine
7111-0200 Screening compound: 1-hexyl-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7111-0200
1-hexyl-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

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

7111-0200

Molecular Formula

C18H23N3S (C18 H23 N3 S)

Compound Name

1-hexyl-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-hexyl-N-[(thiophen-2-yl)methyl]-1H-13-benzodiazol-2-amine

SMILES

CCCCCCn1c(NCc2cccs2)nc2c1cccc2

InChI

InChI=1S/C18H23N3S/c1-2-3-4-7-12-21-17-11-6-5-10-16(17)20-18(21)19-14-15-9-8-13-22-15/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,19,20)

InChI Key

MMNUFAPXZWNDSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712251

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

313.47

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.668

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-5.60

Polar Surface Area

23.577

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 7111-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7111-0200?
Check Price and Availability of 7111-0200, 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 7111-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7111-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7111-0200
  • 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 7111-0200 available by request