Y041-4676 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

Y041-4676 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate
Y041-4676 Screening compound: 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4676
6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

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

Y041-4676

Molecular Formula

C28H31Br2NO6 (C28 H31 Br2 NO6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H31Br2NO6/c1-18-13-25(33)37-27-19(2)26(21(15-23(18)27)14-22(30)16-29)36-24(32)11-7-4-8-12-31-28(34)35-17-20-9-5-3-6-10-20/h3,5-6,9-10,13,15,22H,4,7-8,11-12,14,16-17H2,1-2H3,(H,31,34)/t22-/m0/s1

InChI Key

CIRJWZUXIQKRAW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01564984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.448

Distribution Coefficient, logD

6.448

Water Solubility, LogSw

-5.66

Polar Surface Area

73.269

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with Y041-4676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4676?
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What is the minimum amount of Y041-4676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4676
  • 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 Y041-4676 available by request