8018-8746 Screening compound: (2S,4S)-6-amino-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol

8018-8746 Screening compound: (2S,4S)-6-amino-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
8018-8746 Screening compound: (2S,4S)-6-amino-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8746
(2S,4S)-6-amino-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol

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

8018-8746

Molecular Formula

C10H10F3NO2 (C10 H10 F3 NO2)

Compound Name

(2S,4S)-6-amino-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol

IUPAC name

(2S4S)-6-amino-2-(trifluoromethyl)-34-dihydro-2H-1-benzopyran-4-ol

SMILES

Nc(cc1)cc([C@H](C2)O)c1O[C@@H]2C(F)(F)F

InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)9-4-7(15)6-3-5(14)1-2-8(6)16-9/h1-3,7,9,15H,4,14H2/t7-,9+/m1/s1

InChI Key

IALWDZNGRXLZEN-APPZFPTMSA-N

MDL Number (MFCD)

MFCD08445380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.500

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-1.74

Polar Surface Area

43.648

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

8018-8746 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8746?
Check Price and Availability of 8018-8746, 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 8018-8746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8746
  • 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 8018-8746 available by request