2081-1270 Screening compound: 3,4,5-trimethoxy-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

2081-1270 Screening compound: 3,4,5-trimethoxy-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
2081-1270 Screening compound: 3,4,5-trimethoxy-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1270
3,4,5-trimethoxy-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

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

2081-1270

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

3,4,5-trimethoxy-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

IUPAC name

345-trimethoxy-N-[2-(4-methylphenyl)-2H-123-benzotriazol-5-yl]benzamide

SMILES

Cc(cc1)ccc1-n1nc(cc(cc2)NC(c(cc3OC)cc(OC)c3OC)=O)c2n1

InChI

InChI=1S/C23H22N4O4/c1-14-5-8-17(9-6-14)27-25-18-10-7-16(13-19(18)26-27)24-23(28)15-11-20(29-2)22(31-4)21(12-15)30-3/h5-13H,1-4H3,(H,24,28)

InChI Key

RUCXFQZOZNHEFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.36

Polar Surface Area

70.342

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

2081-1270 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2081-1270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1270?
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What is the minimum amount of 2081-1270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1270
  • 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 2081-1270 available by request