5310-0997 Screening compound: 2-{[(tert-butoxy)carbonyl]amino}-6-formamidohexanoic acid

5310-0997 Screening compound: 2-{[(tert-butoxy)carbonyl]amino}-6-formamidohexanoic acid
5310-0997 Screening compound: 2-{[(tert-butoxy)carbonyl]amino}-6-formamidohexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5310-0997
2-{[(tert-butoxy)carbonyl]amino}-6-formamidohexanoic 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

5310-0997

Molecular Formula

C12H22N2O5 (C12 H22 N2 O5)

Compound Name

2-{[(tert-butoxy)carbonyl]amino}-6-formamidohexanoic acid

IUPAC name

2-{[(tert-butoxy)carbonyl]amino}-6-formamidohexanoic acid

SMILES

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

InChI

InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)/t9-/m0/s1

InChI Key

QYCPNUMTVZBTMM-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00437606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.504

Distribution Coefficient, logD

-2.767

Water Solubility, LogSw

-0.67

Polar Surface Area

86.346

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

5310-0997 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5310-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5310-0997?
Check Price and Availability of 5310-0997, 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 5310-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5310-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5310-0997
  • 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 5310-0997 available by request