Y040-7974 Screening compound: 2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoate

Y040-7974 Screening compound: 2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoate
Y040-7974 Screening compound: 2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7974
2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoate

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

Y040-7974

Molecular Formula

C30H29NO7 (C30 H29 NO7)

Compound Name

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

IUPAC name

2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl (2S3R)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoate

SMILES

CC[C@@H](C)[C@@H](C(Oc(cc1)cc(OC(C)=C2Oc3ccccc3)c1C2=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C30H29NO7/c1-4-19(2)26(31-30(34)35-18-21-11-7-5-8-12-21)29(33)38-23-15-16-24-25(17-23)36-20(3)28(27(24)32)37-22-13-9-6-10-14-22/h5-17,19,26H,4,18H2,1-3H3,(H,31,34)/t19-,26+/m1/s1

InChI Key

BPGMOGYFTHUTSN-BCHFMIIMSA-N

MDL Number (MFCD)

MFCD06438985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.347

Distribution Coefficient, logD

6.347

Water Solubility, LogSw

-5.64

Polar Surface Area

80.534

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with Y040-7974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7974?
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What is the minimum amount of Y040-7974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7974
  • 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 Y040-7974 available by request