L277-0329 Screening compound: N,N,1-trimethyl-2-({4-[(2-methylpropyl)carbamoyl]piperazin-1-yl}methyl)-1H-1,3-benzodiazole-5-carboxamide

L277-0329 Screening compound: N,N,1-trimethyl-2-({4-[(2-methylpropyl)carbamoyl]piperazin-1-yl}methyl)-1H-1,3-benzodiazole-5-carboxamide
L277-0329 Screening compound: N,N,1-trimethyl-2-({4-[(2-methylpropyl)carbamoyl]piperazin-1-yl}methyl)-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L277-0329
N,N,1-trimethyl-2-({4-[(2-methylpropyl)carbamoyl]piperazin-1-yl}methyl)-1H-1,3-benzodiazole-5-carboxamide

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

L277-0329

Molecular Formula

C21H32N6O2 (C21 H32 N6 O2)

Compound Name

N,N,1-trimethyl-2-({4-[(2-methylpropyl)carbamoyl]piperazin-1-yl}methyl)-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

NN1-trimethyl-2-({4-[(2-methylpropyl)carbamoyl]piperazin-1-yl}methyl)-1H-13-benzodiazole-5-carboxamide

SMILES

CC(C)CNC(N1CCN(Cc2nc(cc(cc3)C(N(C)C)=O)c3n2C)CC1)=O

InChI

InChI=1S/C21H32N6O2/c1-15(2)13-22-21(29)27-10-8-26(9-11-27)14-19-23-17-12-16(20(28)24(3)4)6-7-18(17)25(19)5/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,22,29)

InChI Key

WREPWZZGXNYNQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.443

Distribution Coefficient, logD

-0.002

Water Solubility, LogSw

-2.12

Polar Surface Area

58.829

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

L277-0329 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L277-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L277-0329?
Check Price and Availability of L277-0329, 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 L277-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L277-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L277-0329
  • 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 L277-0329 available by request