Y041-5175 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate

Y041-5175 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate
Y041-5175 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5175
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-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

Y041-5175

Molecular Formula

C25H25Br2NO6 (C25 H25 Br2 NO6)

Compound Name

6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate

IUPAC name

6-(23-dibromopropyl)-48-dimethyl-2-oxo-2H-chromen-7-yl (2S)-2-{[(benzyloxy)carbonyl]amino}propanoate

SMILES

CC(C(Oc1c(CC(CBr)Br)cc(C(C)=CC(O2)=O)c2c1C)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C25H25Br2NO6/c1-14-9-21(29)33-23-15(2)22(18(11-20(14)23)10-19(27)12-26)34-24(30)16(3)28-25(31)32-13-17-7-5-4-6-8-17/h4-9,11,16,19H,10,12-13H2,1-3H3,(H,28,31)/t16-,19?/m0/s1

InChI Key

JNBJRIMLKDJQLH-UCFFOFKASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.002

Distribution Coefficient, logD

6.002

Water Solubility, LogSw

-5.58

Polar Surface Area

73.186

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with Y041-5175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5175?
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What is the minimum amount of Y041-5175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5175
  • 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 Y041-5175 available by request