Y040-8032 Screening compound: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

Y040-8032 Screening compound: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate
Y040-8032 Screening compound: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8032
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

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

Y040-8032

Molecular Formula

C29H28N2O8S (C29 H28 N2 O8 S)

Compound Name

2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

IUPAC name

2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

SMILES

Cc(cc1)ccc1S(NCCCCCC(Oc(cc1)cc(OC(C)=C2c(cc3)ccc3[N+]([O-])=O)c1C2=O)=O)(=O)=O

InChI

InChI=1S/C29H28N2O8S/c1-19-7-14-24(15-8-19)40(36,37)30-17-5-3-4-6-27(32)39-23-13-16-25-26(18-23)38-20(2)28(29(25)33)21-9-11-22(12-10-21)31(34)35/h7-16,18,30H,3-6,17H2,1-2H3

InChI Key

GDEBHZNIZFOBMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01562470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.62

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.406

Distribution Coefficient, logD

5.406

Water Solubility, LogSw

-5.16

Polar Surface Area

115.361

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with Y040-8032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8032?
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What is the minimum amount of Y040-8032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8032
  • 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 Y040-8032 available by request