8013-2639 Screening compound: methyl 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-hydroxypropanoate

8013-2639 Screening compound: methyl 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-hydroxypropanoate
8013-2639 Screening compound: methyl 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2639
methyl 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-hydroxypropanoate

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

8013-2639

Molecular Formula

C9H14F3NO5 (C9 H14 F3 NO5)

Compound Name

methyl 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-hydroxypropanoate

IUPAC name

methyl 2-{[(tert-butoxy)carbonyl]amino}-333-trifluoro-2-hydroxypropanoate

SMILES

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

InChI

InChI=1S/C9H14F3NO5/c1-7(2,3)18-6(15)13-8(16,5(14)17-4)9(10,11)12/h16H,1-4H3,(H,13,15)/t8-/m1/s1

InChI Key

SHIDZFBWGGFCLD-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD03764047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.929

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-2.06

Polar Surface Area

70.161

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.80

8013-2639 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8013-2639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2639?
Check Price and Availability of 8013-2639, 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 8013-2639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2639
  • 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 8013-2639 available by request