Y041-4677 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate

Y041-4677 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate
Y041-4677 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4677
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-(4-methylbenzenesulfonamido)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

Y041-4677

Molecular Formula

C24H25Br2NO6S (C24 H25 Br2 NO6 S)

Compound Name

6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate

IUPAC name

6-(23-dibromopropyl)-48-dimethyl-2-oxo-2H-chromen-7-yl 3-(4-methylbenzenesulfonamido)propanoate

SMILES

Cc(cc1)ccc1S(NCCC(Oc1c(CC(CBr)Br)cc(C(C)=CC(O2)=O)c2c1C)=O)(=O)=O

InChI

InChI=1S/C24H25Br2NO6S/c1-14-4-6-19(7-5-14)34(30,31)27-9-8-21(28)32-23-16(3)24-20(15(2)10-22(29)33-24)12-17(23)11-18(26)13-25/h4-7,10,12,18,27H,8-9,11,13H2,1-3H3/t18-/m0/s1

InChI Key

OWOURHIUYVKGCN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01847159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-5.43

Polar Surface Area

82.157

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-6.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y041-4677 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 Y041-4677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4677?
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What is the minimum amount of Y041-4677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4677
  • 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 Y041-4677 available by request