Y040-8038 Screening compound: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoate

Y040-8038 Screening compound: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoate
Y040-8038 Screening compound: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8038
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-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

Y040-8038

Molecular Formula

C30H28N2O8 (C30 H28 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(C(Oc(cc1)cc(OC(C)=C2c(cc3)ccc3[N+]([O-])=O)c1C2=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C30H28N2O8/c1-18(2)15-25(31-30(35)38-17-20-7-5-4-6-8-20)29(34)40-23-13-14-24-26(16-23)39-19(3)27(28(24)33)21-9-11-22(12-10-21)32(36)37/h4-14,16,18,25H,15,17H2,1-3H3,(H,31,35)/t25-/m0/s1

InChI Key

UCDAEUUPWYPHHL-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.327

Distribution Coefficient, logD

6.327

Water Solubility, LogSw

-5.54

Polar Surface Area

106.857

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

Y040-8038 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y040-8038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8038?
Check Price and Availability of Y040-8038, 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 Y040-8038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8038
  • 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 Y040-8038 available by request