G851-0694 Screening compound: N-(4-acetamidophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide

G851-0694 Screening compound: N-(4-acetamidophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide
G851-0694 Screening compound: N-(4-acetamidophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0694
N-(4-acetamidophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide

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

G851-0694

Molecular Formula

C21H24N6O3 (C21 H24 N6 O3)

Compound Name

N-(4-acetamidophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide

IUPAC name

N-(4-acetamidophenyl)-3-[(1-propyl-1H-123-benzotriazol-5-yl)formamido]propanamide

SMILES

CCCn1nnc2c1ccc(C(NCCC(Nc(cc1)ccc1NC(C)=O)=O)=O)c2

InChI

InChI=1S/C21H24N6O3/c1-3-12-27-19-9-4-15(13-18(19)25-26-27)21(30)22-11-10-20(29)24-17-7-5-16(6-8-17)23-14(2)28/h4-9,13H,3,10-12H2,1-2H3,(H,22,30)(H,23,28)(H,24,29)

InChI Key

DTYLBFDUUGRIGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.176

Distribution Coefficient, logD

1.176

Water Solubility, LogSw

-2.14

Polar Surface Area

96.581

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with G851-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0694?
Check Price and Availability of G851-0694, 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 G851-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0694
  • 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 G851-0694 available by request