Y040-8052 Screening compound: 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate

Y040-8052 Screening compound: 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate
Y040-8052 Screening compound: 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8052
3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate

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

Y040-8052

Molecular Formula

C27H22ClNO6 (C27 H22 ClNO6)

Compound Name

3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate

IUPAC name

3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl (2S)-2-{[(benzyloxy)carbonyl]amino}propanoate

SMILES

CC(C(Oc(cc1)cc(OC(C)=C2c(cc3)ccc3Cl)c1C2=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C27H22ClNO6/c1-16(29-27(32)33-15-18-6-4-3-5-7-18)26(31)35-21-12-13-22-23(14-21)34-17(2)24(25(22)30)19-8-10-20(28)11-9-19/h3-14,16H,15H2,1-2H3,(H,29,32)/t16-/m0/s1

InChI Key

NWJDGQOHMJOLCZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03469509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.640

Distribution Coefficient, logD

5.640

Water Solubility, LogSw

-5.90

Polar Surface Area

73.008

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

Y040-8052 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-8052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8052?
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What is the minimum amount of Y040-8052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8052
  • 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 Y040-8052 available by request