3553-1995 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dipropoxybenzamide

3553-1995 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dipropoxybenzamide
3553-1995 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dipropoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-1995
N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dipropoxybenzamide

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

3553-1995

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dipropoxybenzamide

IUPAC name

N-[2-(4-methoxyphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-35-dipropoxybenzamide

SMILES

CCCOc1cc(C(Nc2cc3nn(-c(cc4)ccc4OC)nc3cc2C)=O)cc(OCCC)c1

InChI

InChI=1S/C27H30N4O4/c1-5-11-34-22-14-19(15-23(16-22)35-12-6-2)27(32)28-24-17-26-25(13-18(24)3)29-31(30-26)20-7-9-21(33-4)10-8-20/h7-10,13-17H,5-6,11-12H2,1-4H3,(H,28,32)

InChI Key

YADYFIPVZGWMEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.369

Distribution Coefficient, logD

6.368

Water Solubility, LogSw

-5.47

Polar Surface Area

69.045

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3553-1995 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3553-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-1995?
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What is the minimum amount of 3553-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-1995
  • 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 3553-1995 available by request