Y041-4687 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

Y041-4687 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate
Y041-4687 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4687
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-{[(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

Y041-4687

Molecular Formula

C25H25Br2NO6 (C25 H25 Br2 NO6)

Compound Name

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

IUPAC name

6-(23-dibromopropyl)-48-dimethyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

SMILES

CC(c(c(O1)c2C)cc(CC(CBr)Br)c2OC(CCNC(OCc2ccccc2)=O)=O)=CC1=O

InChI

InChI=1S/C25H25Br2NO6/c1-15-10-22(30)34-24-16(2)23(18(12-20(15)24)11-19(27)13-26)33-21(29)8-9-28-25(31)32-14-17-6-4-3-5-7-17/h3-7,10,12,19H,8-9,11,13-14H2,1-2H3,(H,28,31)/t19-/m0/s1

InChI Key

NQATYEOVTLLZER-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01554323

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

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.448

Water Solubility, LogSw

-5.49

Polar Surface Area

73.269

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

Y041-4687 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-4687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4687?
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What is the minimum amount of Y041-4687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4687
  • 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 Y041-4687 available by request