1281-7445 Screening compound: 4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

1281-7445 Screening compound: 4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid
1281-7445 Screening compound: 4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1281-7445
4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

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

1281-7445

Molecular Formula

C19H19NO6 (C19 H19 NO6)

Compound Name

4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

IUPAC name

4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

SMILES

OC(C(CC(OCc1ccccc1)=O)NC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C19H19NO6/c21-17(25-12-14-7-3-1-4-8-14)11-16(18(22)23)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,22,23)/t16-/m0/s1

InChI Key

VUKCNAATVIWRTF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00237337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

-1.271

Water Solubility, LogSw

-2.62

Polar Surface Area

81.681

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

1281-7445 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1281-7445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1281-7445?
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What is the minimum amount of 1281-7445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1281-7445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1281-7445
  • 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 1281-7445 available by request