Y042-8036 Screening compound: methyl 2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1,5-b]beta-carbolin-2(3H)-yl]benzoate

Y042-8036 Screening compound: methyl 2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1,5-b]beta-carbolin-2(3H)-yl]benzoate
Y042-8036 Screening compound: methyl 2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1,5-b]beta-carbolin-2(3H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8036
methyl 2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1,5-b]beta-carbolin-2(3H)-yl]benzoate

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

Y042-8036

Molecular Formula

C28H23N3O4 (C28 H23 N3 O4)

Compound Name

methyl 2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1,5-b]beta-carbolin-2(3H)-yl]benzoate

IUPAC name

methyl 2-[(15S)-10-(4-methylphenyl)-1214-dioxo-81113-triazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(9)246-tetraen-13-yl]benzoate

SMILES

Cc1ccc(C(c2c(CC3C(N4c(cccc5)c5C(OC)=O)=O)c(cccc5)c5[nH]2)N3C4=O)cc1

InChI

InChI=1S/C28H23N3O4/c1-16-11-13-17(14-12-16)25-24-20(18-7-3-5-9-21(18)29-24)15-23-26(32)31(28(34)30(23)25)22-10-6-4-8-19(22)27(33)35-2/h3-14,23,25,29H,15H2,1-2H3/t23-,25?/m1/s1

InChI Key

KCUVPYLWAFFLKJ-XQZUBTRRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.733

Distribution Coefficient, logD

4.733

Water Solubility, LogSw

-4.82

Polar Surface Area

62.414

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.86

References: we are preparing a list of scientific research reports with Y042-8036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8036?
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What is the minimum amount of Y042-8036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8036
  • 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 Y042-8036 available by request