Y021-1940 Screening compound: N-{(E)-1-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-N'-phenylurea

Y021-1940 Screening compound: N-{(E)-1-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-N'-phenylurea
Y021-1940 Screening compound: N-{(E)-1-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-N'-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1940
N-{(E)-1-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-N'-phenylurea

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

Y021-1940

Molecular Formula

C24H24ClN7O (C24 H24 ClN7 O)

Compound Name

N-{(E)-1-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-N'-phenylurea

IUPAC name

3-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(46-dimethylpyrimidin-2-yl)amino]methylidene]-1-phenylurea

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3Cl)=N/C(Nc2ccccc2)=O)nc(C)c1

InChI

InChI=1S/C24H24ClN7O/c1-15-12-16(2)29-23(28-15)31-22(32-24(33)30-19-6-4-3-5-7-19)26-11-10-17-14-27-21-9-8-18(25)13-20(17)21/h3-9,12-14,27H,10-11H2,1-2H3,(H3,26,28,29,30,31,32,33)

InChI Key

UUGPLXQCGDTUNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.95

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

3.994

Distribution Coefficient, logD

-1.405

Water Solubility, LogSw

-4.37

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

16.67

References: we are preparing a list of scientific research reports with Y021-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1940?
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What is the minimum amount of Y021-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1940
  • 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 Y021-1940 available by request