H010-0040 Screening compound: N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide

H010-0040 Screening compound: N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide
H010-0040 Screening compound: N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H010-0040
N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide

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

H010-0040

Molecular Formula

C24H30N4O5 (C24 H30 N4 O5)

Compound Name

N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide

IUPAC name

N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2345-tetrahydro-1H-14-benzodiazepine-5-carboxamide

SMILES

CC(C)(C)NC(C(c(cc(cc1)[N+]([O-])=O)c1N(C)C1)N(CCc(cc2)ccc2OC)C1=O)=O

InChI

InChI=1S/C24H30N4O5/c1-24(2,3)25-23(30)22-19-14-17(28(31)32)8-11-20(19)26(4)15-21(29)27(22)13-12-16-6-9-18(33-5)10-7-16/h6-11,14,22H,12-13,15H2,1-5H3,(H,25,30)/t22-/m1/s1

InChI Key

PJXUCFBDYMNPOO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27214248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-4.01

Polar Surface Area

83.506

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

H010-0040 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with H010-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0040?
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What is the minimum amount of H010-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0040
  • 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 H010-0040 available by request