8019-8101 Screening compound: N~1~-(2-ethyl-2H-1,2,3,4-tetraazol-5-yl)-4-fluorobenzamide

8019-8101 Screening compound: N~1~-(2-ethyl-2H-1,2,3,4-tetraazol-5-yl)-4-fluorobenzamide
8019-8101 Screening compound: N~1~-(2-ethyl-2H-1,2,3,4-tetraazol-5-yl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8101
N~1~-(2-ethyl-2H-1,2,3,4-tetraazol-5-yl)-4-fluorobenzamide

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

8019-8101

Molecular Formula

C10H10FN5O (C10 H10 FN5 O)

Compound Name

N~1~-(2-ethyl-2H-1,2,3,4-tetraazol-5-yl)-4-fluorobenzamide

IUPAC name

N-(2-ethyl-2H-1234-tetrazol-5-yl)-4-fluorobenzamide

SMILES

CCn1nnc(NC(c(cc2)ccc2F)=O)n1

InChI

InChI=1S/C10H10FN5O/c1-2-16-14-10(13-15-16)12-9(17)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,14,17)

InChI Key

LEMBNMKHUHZURV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04388363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.210

Distribution Coefficient, logD

-0.823

Water Solubility, LogSw

-2.17

Polar Surface Area

62.835

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8019-8101 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8019-8101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8101?
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What is the minimum amount of 8019-8101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8101
  • 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 8019-8101 available by request