F859-0005 Screening compound: 2-[N-methyl1-(butan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamido]-N-[(pyridin-3-yl)methyl]acetamide

F859-0005 Screening compound: 2-[N-methyl1-(butan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamido]-N-[(pyridin-3-yl)methyl]acetamide
F859-0005 Screening compound: 2-[N-methyl1-(butan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamido]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F859-0005
2-[N-methyl1-(butan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamido]-N-[(pyridin-3-yl)methyl]acetamide

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

F859-0005

Molecular Formula

C19H24N6O3S (C19 H24 N6 O3 S)

Compound Name

2-[N-methyl1-(butan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamido]-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-[N-methyl1-(butan-2-yl)-1H-123-benzotriazole-5-sulfonamido]-N-[(pyridin-3-yl)methyl]acetamide

SMILES

CCC(C)n1nnc2c1ccc(S(N(C)CC(NCc1cnccc1)=O)(=O)=O)c2

InChI

InChI=1S/C19H24N6O3S/c1-4-14(2)25-18-8-7-16(10-17(18)22-23-25)29(27,28)24(3)13-19(26)21-12-15-6-5-9-20-11-15/h5-11,14H,4,12-13H2,1-3H3,(H,21,26)

InChI Key

ZGLWHQQKYGJBHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.349

Distribution Coefficient, logD

1.346

Water Solubility, LogSw

-2.07

Polar Surface Area

92.542

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

F859-0005 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F859-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F859-0005?
Check Price and Availability of F859-0005, 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 F859-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F859-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F859-0005
  • 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 F859-0005 available by request