Y021-1958 Screening compound: N-((E)-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-N'-(4-methylphenyl)urea

Y021-1958 Screening compound: N-((E)-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-N'-(4-methylphenyl)urea
Y021-1958 Screening compound: N-((E)-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-N'-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1958
N-((E)-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-N'-(4-methylphenyl)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

Y021-1958

Molecular Formula

C25H27N7O (C25 H27 N7 O)

Compound Name

N-((E)-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-N'-(4-methylphenyl)urea

IUPAC name

3-[(E)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-1-(4-methylphenyl)urea

SMILES

Cc(cc1)ccc1NC(/N=C(\NCCc1c[nH]c2c1cccc2)/Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C25H27N7O/c1-16-8-10-20(11-9-16)30-25(33)32-23(31-24-28-17(2)14-18(3)29-24)26-13-12-19-15-27-22-7-5-4-6-21(19)22/h4-11,14-15,27H,12-13H2,1-3H3,(H3,26,28,29,30,31,32,33)

InChI Key

ZZLUVVSNZXEVIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

-1.460

Water Solubility, LogSw

-4.02

Polar Surface Area

80.094

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y021-1958 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-1958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1958?
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What is the minimum amount of Y021-1958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1958
  • 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 Y021-1958 available by request