8019-3113 Screening compound: N-(1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)formamide

8019-3113 Screening compound: N-(1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)formamide
8019-3113 Screening compound: N-(1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)formamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3113
N-(1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)formamide

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

8019-3113

Molecular Formula

C17H16FN3O (C17 H16 FN3 O)

Compound Name

N-(1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)formamide

IUPAC name

N-(1-{1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)formamide

SMILES

CC(c1nc(cccc2)c2n1Cc(cccc1)c1F)NC=O

InChI

InChI=1S/C17H16FN3O/c1-12(19-11-22)17-20-15-8-4-5-9-16(15)21(17)10-13-6-2-3-7-14(13)18/h2-9,11-12H,10H2,1H3,(H,19,22)/t12-/m0/s1

InChI Key

ZPYQNXUKGSKLTQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07361035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.47

Polar Surface Area

35.201

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8019-3113 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8019-3113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3113?
Check Price and Availability of 8019-3113, 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 8019-3113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3113
  • 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 8019-3113 available by request