Y042-7998 Screening compound: (3S)-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

Y042-7998 Screening compound: (3S)-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Y042-7998 Screening compound: (3S)-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7998
(3S)-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

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

Y042-7998

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

(3S)-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

IUPAC name

(3S)-1-(3-methoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylic acid

SMILES

COc1cccc(C(c2c(C3)c(cccc4)c4[nH]2)NC3C(O)=O)c1

InChI

InChI=1S/C19H18N2O3/c1-24-12-6-4-5-11(9-12)17-18-14(10-16(21-17)19(22)23)13-7-2-3-8-15(13)20-18/h2-9,16-17,20-21H,10H2,1H3,(H,22,23)/t16-,17?/m0/s1

InChI Key

PVTSPWQHECKMLA-BHWOMJMDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.018

Distribution Coefficient, logD

-0.518

Water Solubility, LogSw

-2.70

Polar Surface Area

58.751

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.05

Y042-7998 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-7998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7998?
Check Price and Availability of Y042-7998, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y042-7998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7998
  • 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 Y042-7998 available by request