Y043-6170 Screening compound: 6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide

Y043-6170 Screening compound: 6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide
Y043-6170 Screening compound: 6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6170
6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide

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

Y043-6170

Molecular Formula

C29H36N6O6 (C29 H36 N6 O6)

Compound Name

6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide

IUPAC name

6-{[(10S)-10-acetamido-345-trimethoxy-13-oxotricyclo[9.5.0.0^{27}]hexadeca-1(16)2(7)351114-hexaen-14-yl]amino}-N-(1H-124-triazol-3-yl)hexanamide

SMILES

CC(NC(CCc(c(C1=CC=C2NCCCCCC(Nc3n[nH]cn3)=O)c3OC)cc(OC)c3OC)C1=CC2=O)=O

InChI

InChI=1S/C29H36N6O6/c1-17(36)33-21-11-9-18-14-24(39-2)27(40-3)28(41-4)26(18)19-10-12-22(23(37)15-20(19)21)30-13-7-5-6-8-25(38)34-29-31-16-32-35-29/h10,12,14-16,21H,5-9,11,13H2,1-4H3,(H,30,37)(H,33,36)(H2,31,32,34,35,38)/t21-/m0/s1

InChI Key

MJVYXEJQOFJOON-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.765

Distribution Coefficient, logD

0.760

Water Solubility, LogSw

-1.84

Polar Surface Area

132.588

Acid Dissociation Constant (pKa)

5.02

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.38

References: we are preparing a list of scientific research reports with Y043-6170 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y043-6170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6170
  • 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 Y043-6170 available by request