8377-1208 Screening compound: N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

8377-1208 Screening compound: N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
8377-1208 Screening compound: N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8377-1208
N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

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

8377-1208

Molecular Formula

C27H28N6O3 (C27 H28 N6 O3)

Compound Name

N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

IUPAC name

N-[2-(4-ethylphenyl)-2H-123-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

SMILES

CCc(cc1)ccc1-n1nc(cc(cc2)NC(c(cc3)cc([N+]([O-])=O)c3N3CCC(C)CC3)=O)c2n1

InChI

InChI=1S/C27H28N6O3/c1-3-19-4-8-22(9-5-19)32-29-23-10-7-21(17-24(23)30-32)28-27(34)20-6-11-25(26(16-20)33(35)36)31-14-12-18(2)13-15-31/h4-11,16-18H,3,12-15H2,1-2H3,(H,28,34)

InChI Key

KNFAQZLDRFMBLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07144302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.338

Distribution Coefficient, logD

6.094

Water Solubility, LogSw

-5.47

Polar Surface Area

83.596

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

8377-1208 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8377-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8377-1208?
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What is the minimum amount of 8377-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8377-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8377-1208
  • 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 8377-1208 available by request