4464-1031 Screening compound: tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate

4464-1031 Screening compound: tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate
4464-1031 Screening compound: tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-1031
tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate

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

4464-1031

Molecular Formula

C16H29N3O6 (C16 H29 N3 O6)

Compound Name

tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate

IUPAC name

tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate

SMILES

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

InChI

InChI=1S/C16H29N3O6/c1-9(12(17)21)18-13(22)10(8-11(20)24-15(2,3)4)19-14(23)25-16(5,6)7/h9-10H,8H2,1-7H3,(H2,17,21)(H,18,22)(H,19,23)

InChI Key

WKHRXLSMDHFXPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.564

Distribution Coefficient, logD

1.564

Water Solubility, LogSw

-1.49

Polar Surface Area

109.191

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

4464-1031 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4464-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-1031?
Check Price and Availability of 4464-1031, 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 4464-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-1031
  • 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 4464-1031 available by request