L389-0688 Screening compound: N-(4-butylphenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

L389-0688 Screening compound: N-(4-butylphenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
L389-0688 Screening compound: N-(4-butylphenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L389-0688
N-(4-butylphenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

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

L389-0688

Molecular Formula

C30H33N3O2S (C30 H33 N3 O2 S)

Compound Name

N-(4-butylphenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-butylphenyl)-2-{[4-(3-methoxyphenyl)-78-dimethyl-3H-15-benzodiazepin-2-yl]sulfanyl}acetamide

SMILES

CCCCc(cc1)ccc1NC(CSC(C1)=Nc(cc(C)c(C)c2)c2N=C1c1cc(OC)ccc1)=O

InChI

InChI=1S/C30H33N3O2S/c1-5-6-8-22-11-13-24(14-12-22)31-29(34)19-36-30-18-26(23-9-7-10-25(17-23)35-4)32-27-15-20(2)21(3)16-28(27)33-30/h7,9-17H,5-6,8,18-19H2,1-4H3,(H,31,34)

InChI Key

KQHGJLRXZQRYJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.633

Distribution Coefficient, logD

7.627

Water Solubility, LogSw

-5.60

Polar Surface Area

48.883

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L389-0688 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L389-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L389-0688?
Check Price and Availability of L389-0688, 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 L389-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L389-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L389-0688
  • 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 L389-0688 available by request