Y043-7888 Screening compound: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoic acid

Y043-7888 Screening compound: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoic acid
Y043-7888 Screening compound: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7888
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoic acid

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

Y043-7888

Molecular Formula

C25H30N2O7 (C25 H30 N2 O7)

Compound Name

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

IUPAC name

4-{[(10S)-10-acetamido-345-trimethoxy-13-oxotricyclo[9.5.0.0^{27}]hexadeca-1(16)2(7)351114-hexaen-14-yl]amino}butanoic acid

SMILES

CC(NC(CCc(c(C1=CC=C2NCCCC(O)=O)c3OC)cc(OC)c3OC)C1=CC2=O)=O

InChI

InChI=1S/C25H30N2O7/c1-14(28)27-18-9-7-15-12-21(32-2)24(33-3)25(34-4)23(15)16-8-10-19(20(29)13-17(16)18)26-11-5-6-22(30)31/h8,10,12-13,18H,5-7,9,11H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t18-/m0/s1

InChI Key

UWYBANXPZJSFDR-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.854

Distribution Coefficient, logD

-1.967

Water Solubility, LogSw

-1.55

Polar Surface Area

101.256

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y043-7888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7888?
Check Price and Availability of Y043-7888, 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 Y043-7888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7888
  • 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 Y043-7888 available by request