G373-1896 Screening compound: ethyl 4-({4-[5-(dimethylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]piperidine-1-carbonyl}amino)benzoate

G373-1896 Screening compound: ethyl 4-({4-[5-(dimethylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]piperidine-1-carbonyl}amino)benzoate
G373-1896 Screening compound: ethyl 4-({4-[5-(dimethylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-1896
ethyl 4-({4-[5-(dimethylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]piperidine-1-carbonyl}amino)benzoate

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

G373-1896

Molecular Formula

C24H28N6O4 (C24 H28 N6 O4)

Compound Name

ethyl 4-({4-[5-(dimethylcarbamoyl)-1H-1,2,3-benzotriazol-1-yl]piperidine-1-carbonyl}amino)benzoate

IUPAC name

ethyl 4-({4-[5-(dimethylcarbamoyl)-1H-123-benzotriazol-1-yl]piperidine-1-carbonyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)CCC1n1nnc2c1ccc(C(N(C)C)=O)c2)=O)=O

InChI

InChI=1S/C24H28N6O4/c1-4-34-23(32)16-5-8-18(9-6-16)25-24(33)29-13-11-19(12-14-29)30-21-10-7-17(22(31)28(2)3)15-20(21)26-27-30/h5-10,15,19H,4,11-14H2,1-3H3,(H,25,33)

InChI Key

RJIWXEBFPJXCCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15006012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

2.163

Water Solubility, LogSw

-2.95

Polar Surface Area

87.665

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G373-1896 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G373-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-1896?
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What is the minimum amount of G373-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-1896
  • 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 G373-1896 available by request