Y041-1410 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate

Y041-1410 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
Y041-1410 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1410
8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate

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

Y041-1410

Molecular Formula

C28H28ClNO6 (C28 H28 ClNO6)

Compound Name

8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate

IUPAC name

8-chloro-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl (1r4r)-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate

SMILES

O=C([C@H]1CC[C@H](CNC(OCc2ccccc2)=O)CC1)Oc(cc(c(C1=C2CCC1)c1)OC2=O)c1Cl

InChI

InChI=1S/C28H28ClNO6/c29-23-13-22-20-7-4-8-21(20)27(32)35-24(22)14-25(23)36-26(31)19-11-9-17(10-12-19)15-30-28(33)34-16-18-5-2-1-3-6-18/h1-3,5-6,13-14,17,19H,4,7-12,15-16H2,(H,30,33)

InChI Key

ZXQAOWQZLAOLRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10041065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.916

Distribution Coefficient, logD

5.916

Water Solubility, LogSw

-6.19

Polar Surface Area

74.973

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with Y041-1410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1410?
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What is the minimum amount of Y041-1410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1410
  • 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 Y041-1410 available by request