Y042-2805 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-4-[(4,5-dimethoxy-1H-indol-2-yl)formamido]butanamide

Y042-2805 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-4-[(4,5-dimethoxy-1H-indol-2-yl)formamido]butanamide
Y042-2805 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-4-[(4,5-dimethoxy-1H-indol-2-yl)formamido]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2805
N-(1H-1,3-benzodiazol-2-yl)-4-[(4,5-dimethoxy-1H-indol-2-yl)formamido]butanamide

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

Y042-2805

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

N-(1H-1,3-benzodiazol-2-yl)-4-[(4,5-dimethoxy-1H-indol-2-yl)formamido]butanamide

IUPAC name

N-(1H-13-benzodiazol-2-yl)-4-[(45-dimethoxy-1H-indol-2-yl)formamido]butanamide

SMILES

COc(ccc1c2cc(C(NCCCC(Nc3nc(cccc4)c4[nH]3)=O)=O)[nH]1)c2OC

InChI

InChI=1S/C22H23N5O4/c1-30-18-10-9-14-13(20(18)31-2)12-17(24-14)21(29)23-11-5-8-19(28)27-22-25-15-6-3-4-7-16(15)26-22/h3-4,6-7,9-10,12,24H,5,8,11H2,1-2H3,(H,23,29)(H2,25,26,27,28)

InChI Key

ZTQQOHMSFXIDNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09855000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.799

Distribution Coefficient, logD

1.799

Water Solubility, LogSw

-2.47

Polar Surface Area

92.764

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y042-2805 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y042-2805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2805?
Check Price and Availability of Y042-2805, 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 Y042-2805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2805
  • 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 Y042-2805 available by request