8290-04157 Screening compound: 3-chloro-N-{6-methyl-2-[4-(propan-2-yl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide

8290-04157 Screening compound: 3-chloro-N-{6-methyl-2-[4-(propan-2-yl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide
8290-04157 Screening compound: 3-chloro-N-{6-methyl-2-[4-(propan-2-yl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-04157
3-chloro-N-{6-methyl-2-[4-(propan-2-yl)phenyl]-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

8290-04157

Molecular Formula

C23H21ClN4O (C23 H21 ClN4 O)

Compound Name

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

IUPAC name

3-chloro-N-{6-methyl-2-[4-(propan-2-yl)phenyl]-2H-123-benzotriazol-5-yl}benzamide

SMILES

CC(C)c(cc1)ccc1-n1nc(cc(c(C)c2)NC(c3cccc(Cl)c3)=O)c2n1

InChI

InChI=1S/C23H21ClN4O/c1-14(2)16-7-9-19(10-8-16)28-26-21-11-15(3)20(13-22(21)27-28)25-23(29)17-5-4-6-18(24)12-17/h4-14H,1-3H3,(H,25,29)

InChI Key

CLRBFUPRZAYVFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08133190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.178

Distribution Coefficient, logD

6.010

Water Solubility, LogSw

-6.36

Polar Surface Area

46.666

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 8290-04157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-04157?
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What is the minimum amount of 8290-04157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-04157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-04157
  • 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 8290-04157 available by request