Y040-6151 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]propanamide

Y040-6151 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]propanamide
Y040-6151 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6151
N-(1,3-benzothiazol-2-yl)-2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]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

Y040-6151

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]propanamide

IUPAC name

(2R)-N-(13-benzothiazol-2-yl)-2-[(47-dimethoxy-1H-indol-2-yl)formamido]propanamide

SMILES

CC(C(Nc1nc(cccc2)c2s1)=O)NC(c1cc(c(OC)ccc2OC)c2[nH]1)=O

InChI

InChI=1S/C21H20N4O4S/c1-11(19(26)25-21-24-13-6-4-5-7-17(13)30-21)22-20(27)14-10-12-15(28-2)8-9-16(29-3)18(12)23-14/h4-11,23H,1-3H3,(H,22,27)(H,24,25,26)/t11-/m0/s1

InChI Key

KYDNUGKVSNAHKD-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.07

Polar Surface Area

82.319

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

Y040-6151 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-6151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6151?
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What is the minimum amount of Y040-6151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6151
  • 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 Y040-6151 available by request