1281-7421 Screening compound: tert-butyl 2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate

1281-7421 Screening compound: tert-butyl 2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate
1281-7421 Screening compound: tert-butyl 2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1281-7421
tert-butyl 2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate

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

1281-7421

Molecular Formula

C18H28N2O4 (C18 H28 N2 O4)

Compound Name

tert-butyl 2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate

IUPAC name

tert-butyl 2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate

SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-18(2,3)24-16(21)15(19)11-7-8-12-20-17(22)23-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22)/t15-/m0/s1

InChI Key

AKFVZALISNAFRA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00810355

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

336.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-2.26

Polar Surface Area

73.873

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

1281-7421 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1281-7421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1281-7421?
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What is the minimum amount of 1281-7421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1281-7421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1281-7421
  • 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 1281-7421 available by request