H010-0044 Screening compound: tert-butyl N-({[(tert-butylcarbamoyl)[4-(propan-2-yl)phenyl]methyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)carbamate

H010-0044 Screening compound: tert-butyl N-({[(tert-butylcarbamoyl)[4-(propan-2-yl)phenyl]methyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)carbamate
H010-0044 Screening compound: tert-butyl N-({[(tert-butylcarbamoyl)[4-(propan-2-yl)phenyl]methyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound H010-0044
tert-butyl N-({[(tert-butylcarbamoyl)[4-(propan-2-yl)phenyl]methyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)carbamate

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

H010-0044

Molecular Formula

C30H43N3O5 (C30 H43 N3 O5)

Compound Name

tert-butyl N-({[(tert-butylcarbamoyl)[4-(propan-2-yl)phenyl]methyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)carbamate

IUPAC name

tert-butyl N-({[(tert-butylcarbamoyl)[4-(propan-2-yl)phenyl]methyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)carbamate

SMILES

CC(C)c1ccc(C(C(NC(C)(C)C)=O)N(Cc(cc2)ccc2OC)C(CNC(OC(C)(C)C)=O)=O)cc1

InChI

InChI=1S/C30H43N3O5/c1-20(2)22-12-14-23(15-13-22)26(27(35)32-29(3,4)5)33(19-21-10-16-24(37-9)17-11-21)25(34)18-31-28(36)38-30(6,7)8/h10-17,20,26H,18-19H2,1-9H3,(H,31,36)(H,32,35)/t26-/m1/s1

InChI Key

WZBGUKKWYQKPGW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27214250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.126

Distribution Coefficient, logD

6.125

Water Solubility, LogSw

-5.56

Polar Surface Area

77.834

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

H010-0044 in Drug Discovery

Included in Screening Libraries

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 H010-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0044?
Check Price and Availability of H010-0044, 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 H010-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0044
  • 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 H010-0044 available by request