4464-0981 Screening compound: benzyl 2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]acetate

4464-0981 Screening compound: benzyl 2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]acetate
4464-0981 Screening compound: benzyl 2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-0981
benzyl 2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]acetate

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

4464-0981

Molecular Formula

C24H30N2O6 (C24 H30 N2 O6)

Compound Name

benzyl 2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]acetate

IUPAC name

benzyl 2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]acetate

SMILES

CC(C)(C)OC(NC(COCc1ccccc1)C(NCC(OCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C24H30N2O6/c1-24(2,3)32-23(29)26-20(17-30-15-18-10-6-4-7-11-18)22(28)25-14-21(27)31-16-19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3,(H,25,28)(H,26,29)/t20-/m0/s1

InChI Key

LCNUQOWWSQGYLT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00337799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.39

Polar Surface Area

85.126

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

4464-0981 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4464-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-0981?
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What is the minimum amount of 4464-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-0981
  • 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 4464-0981 available by request