SC09-0056 Screening compound: (3S)-4-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

SC09-0056 Screening compound: (3S)-4-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
SC09-0056 Screening compound: (3S)-4-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC09-0056
(3S)-4-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

SC09-0056

Molecular Formula

C20H22FNO (C20 H22 FNO)

Compound Name

(3S)-4-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

(3S)-4-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-methyl-2345-tetrahydro-14-benzoxazepine

SMILES

C[C@@H]1N(CC2CC2)Cc(cc(cc2)-c3cccc(F)c3)c2OC1

InChI

InChI=1S/C20H22FNO/c1-14-13-23-20-8-7-17(16-3-2-4-19(21)10-16)9-18(20)12-22(14)11-15-5-6-15/h2-4,7-10,14-15H,5-6,11-13H2,1H3/t14-/m1/s1

InChI Key

UYLNYJITJGDEGA-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.160

Distribution Coefficient, logD

2.754

Water Solubility, LogSw

-5.24

Polar Surface Area

12.115

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

9.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with SC09-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC09-0056?
Check Price and Availability of SC09-0056, 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 SC09-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC09-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC09-0056
  • 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 SC09-0056 available by request