L596-0451 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

L596-0451 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
L596-0451 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L596-0451
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

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

L596-0451

Molecular Formula

C23H25FN4O5S (C23 H25 FN4 O5 S)

Compound Name

3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CN(c(ccc(S(Nc1cc(F)ccc1)(=O)=O)c1)c1C(N1CC(N2CCCCCC2)=O)=O)C1=O

InChI

InChI=1S/C23H25FN4O5S/c1-26-20-10-9-18(34(32,33)25-17-8-6-7-16(24)13-17)14-19(20)22(30)28(23(26)31)15-21(29)27-11-4-2-3-5-12-27/h6-10,13-14,25H,2-5,11-12,15H2,1H3

InChI Key

AOEBTGDKQBSFDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.577

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-3.20

Polar Surface Area

88.677

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with L596-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L596-0451?
Check Price and Availability of L596-0451, 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 L596-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L596-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L596-0451
  • 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 L596-0451 available by request