3729-2603 Screening compound: N-[2-(3-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide

3729-2603 Screening compound: N-[2-(3-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide
3729-2603 Screening compound: N-[2-(3-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2603
N-[2-(3-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(2-methylpropoxy)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

3729-2603

Molecular Formula

C24H24N4O3 (C24 H24 N4 O3)

Compound Name

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

IUPAC name

N-[2-(3-methoxyphenyl)-2H-123-benzotriazol-5-yl]-4-(2-methylpropoxy)benzamide

SMILES

CC(C)COc(cc1)ccc1C(Nc1cc2nn(-c3cc(OC)ccc3)nc2cc1)=O

InChI

InChI=1S/C24H24N4O3/c1-16(2)15-31-20-10-7-17(8-11-20)24(29)25-18-9-12-22-23(13-18)27-28(26-22)19-5-4-6-21(14-19)30-3/h4-14,16H,15H2,1-3H3,(H,25,29)

InChI Key

OQEIKFUDFFKTLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01836600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.711

Distribution Coefficient, logD

5.703

Water Solubility, LogSw

-5.49

Polar Surface Area

62.407

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 3729-2603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2603?
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What is the minimum amount of 3729-2603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2603
  • 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 3729-2603 available by request