Y600-1962 Screening compound: N'-1-adamantyl-N-(4-methoxybenzyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

Y600-1962 Screening compound: N'-1-adamantyl-N-(4-methoxybenzyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
Y600-1962 Screening compound: N'-1-adamantyl-N-(4-methoxybenzyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1962
N'-1-adamantyl-N-(4-methoxybenzyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

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

Y600-1962

Molecular Formula

C30H37N3O3 (C30 H37 N3 O3)

Compound Name

N'-1-adamantyl-N-(4-methoxybenzyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

IUPAC name

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-3-[(3R5S7s)-adamantan-1-yl]urea

SMILES

COc1ccc(CN(CCc2c[nH]c(cc3)c2cc3OC)C(NC2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2)=O)cc1

InChI

InChI=1S/C30H37N3O3/c1-35-25-5-3-20(4-6-25)19-33(10-9-24-18-31-28-8-7-26(36-2)14-27(24)28)29(34)32-30-15-21-11-22(16-30)13-23(12-21)17-30/h3-8,14,18,21-23,31H,9-13,15-17,19H2,1-2H3,(H,32,34)

InChI Key

SRCIRDWVEOYUTN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.816

Distribution Coefficient, logD

5.816

Water Solubility, LogSw

-5.68

Polar Surface Area

50.953

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with Y600-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1962?
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What is the minimum amount of Y600-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1962
  • 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 Y600-1962 available by request