4464-1034 Screening compound: benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate

4464-1034 Screening compound: benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate
4464-1034 Screening compound: benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-[(1-carbamoylethyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-1034
benzyl 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

4464-1034

Molecular Formula

C19H27N3O6 (C19 H27 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H27N3O6/c1-12(16(20)24)21-17(25)14(22-18(26)28-19(2,3)4)10-15(23)27-11-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H2,20,24)(H,21,25)(H,22,26)

InChI Key

FBIOPDHYVDVYDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.20

Polar Surface Area

110.185

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with 4464-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-1034?
Check Price and Availability of 4464-1034, 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 4464-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-1034
  • 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 4464-1034 available by request