7418-0677 Screening compound: N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-4-methylbenzamide

7418-0677 Screening compound: N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-4-methylbenzamide
7418-0677 Screening compound: N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7418-0677
N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-yl}-4-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

7418-0677

Molecular Formula

C25H27N5O (C25 H27 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c(cc1)ccc1-n1nc(cc(c(C)c2)NC(c3ccc(C)cc3)=O)c2n1

InChI

InChI=1S/C25H27N5O/c1-5-29(6-2)20-11-13-21(14-12-20)30-27-23-15-18(4)22(16-24(23)28-30)26-25(31)19-9-7-17(3)8-10-19/h7-16H,5-6H2,1-4H3,(H,26,31)

InChI Key

YPRQXDNKJQTMFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05819561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

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

5.411

Distribution Coefficient, logD

5.370

Water Solubility, LogSw

-5.34

Polar Surface Area

49.402

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 7418-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7418-0677?
Check Price and Availability of 7418-0677, 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 7418-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7418-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7418-0677
  • 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 7418-0677 available by request