7840-3984 Screening compound: N-{2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-2-methylbenzamide

7840-3984 Screening compound: N-{2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-2-methylbenzamide
7840-3984 Screening compound: N-{2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3984
N-{2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-2-methylbenzamide

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

7840-3984

Molecular Formula

C26H29N5O (C26 H29 N5 O)

Compound Name

N-{2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-2-methylbenzamide

IUPAC name

N-{2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-123-benzotriazol-5-yl}-2-methylbenzamide

SMILES

CCN(CC)c(cc1)cc(C)c1-n1nc(cc(c(C)c2)NC(c3c(C)cccc3)=O)c2n1

InChI

InChI=1S/C26H29N5O/c1-6-30(7-2)20-12-13-25(19(5)14-20)31-28-23-15-18(4)22(16-24(23)29-31)27-26(32)21-11-9-8-10-17(21)3/h8-16H,6-7H2,1-5H3,(H,27,32)

InChI Key

HRVYCWKAXHOEJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.860

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-5.54

Polar Surface Area

49.101

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

7840-3984 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7840-3984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3984?
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What is the minimum amount of 7840-3984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3984
  • 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 7840-3984 available by request