Y044-5388 Screening compound: N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-N'-(1H-indol-4-yl)urea

Y044-5388 Screening compound: N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-N'-(1H-indol-4-yl)urea
Y044-5388 Screening compound: N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-N'-(1H-indol-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5388
N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-N'-(1H-indol-4-yl)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

Y044-5388

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-N'-(1H-indol-4-yl)urea

IUPAC name

1-[1-(34-dimethoxyphenyl)-2-methylpropyl]-3-(1H-indol-4-yl)urea

SMILES

CC(C)C(c(cc1)cc(OC)c1OC)NC(Nc1c(cc[nH]2)c2ccc1)=O

InChI

InChI=1S/C21H25N3O3/c1-13(2)20(14-8-9-18(26-3)19(12-14)27-4)24-21(25)23-17-7-5-6-16-15(17)10-11-22-16/h5-13,20,22H,1-4H3,(H2,23,24,25)/t20-/m0/s1

InChI Key

QLSDLHLHTBYIKG-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.68

Polar Surface Area

57.560

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

Y044-5388 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y044-5388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5388?
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What is the minimum amount of Y044-5388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5388
  • 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 Y044-5388 available by request