L553-1708 Screening compound: 3-[4-(1-azepanyl)-3-methylisoxazolo[5,4-d]pyrimidin-6-yl]-N~1~-(2-chloro-4-fluorobenzyl)propanamide

L553-1708 Screening compound: 3-[4-(1-azepanyl)-3-methylisoxazolo[5,4-d]pyrimidin-6-yl]-N~1~-(2-chloro-4-fluorobenzyl)propanamide
L553-1708 Screening compound: 3-[4-(1-azepanyl)-3-methylisoxazolo[5,4-d]pyrimidin-6-yl]-N~1~-(2-chloro-4-fluorobenzyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L553-1708
3-[4-(1-azepanyl)-3-methylisoxazolo[5,4-d]pyrimidin-6-yl]-N~1~-(2-chloro-4-fluorobenzyl)propanamide

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

L553-1708

Molecular Formula

C22H25ClFN5O2 (C22 H25 ClFN5 O2)

Compound Name

3-[4-(1-azepanyl)-3-methylisoxazolo[5,4-d]pyrimidin-6-yl]-N~1~-(2-chloro-4-fluorobenzyl)propanamide

IUPAC name

3-[4-(azepan-1-yl)-3-methyl-[12]oxazolo[54-d]pyrimidin-6-yl]-N-[(2-chloro-4-fluorophenyl)methyl]propanamide

SMILES

Cc1noc2nc(CCC(NCc(ccc(F)c3)c3Cl)=O)nc(N3CCCCCC3)c12

InChI

InChI=1S/C22H25ClFN5O2/c1-14-20-21(29-10-4-2-3-5-11-29)26-18(27-22(20)31-28-14)8-9-19(30)25-13-15-6-7-16(24)12-17(15)23/h6-7,12H,2-5,8-11,13H2,1H3,(H,25,30)

InChI Key

QXGXJDHZABHURN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.752

Distribution Coefficient, logD

4.750

Water Solubility, LogSw

-4.89

Polar Surface Area

69.895

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

References: we are preparing a list of scientific research reports with L553-1708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L553-1708?
Check Price and Availability of L553-1708, 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 L553-1708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L553-1708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L553-1708
  • 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 L553-1708 available by request