L695-0039 Screening compound: N-cycloheptyl-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

L695-0039 Screening compound: N-cycloheptyl-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
L695-0039 Screening compound: N-cycloheptyl-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L695-0039
N-cycloheptyl-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-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

L695-0039

Molecular Formula

C23H32N4O5S (C23 H32 N4 O5 S)

Compound Name

N-cycloheptyl-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-cycloheptyl-1-methyl-24-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CN(c(ccc(S(NC1CCCCCC1)(=O)=O)c1)c1C(N1CCC(N2CCCC2)=O)=O)C1=O

InChI

InChI=1S/C23H32N4O5S/c1-25-20-11-10-18(33(31,32)24-17-8-4-2-3-5-9-17)16-19(20)22(29)27(23(25)30)15-12-21(28)26-13-6-7-14-26/h10-11,16-17,24H,2-9,12-15H2,1H3

InChI Key

BHYWOGPQKDFXML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15133399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.69

Polar Surface Area

90.069

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

L695-0039 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with L695-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L695-0039?
Check Price and Availability of L695-0039, 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 L695-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L695-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L695-0039
  • 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 L695-0039 available by request