3772-4469 Screening compound: 1-(4-chlorophenyl)-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(2-propoxyphenyl)amino]methylidene]urea

3772-4469 Screening compound: 1-(4-chlorophenyl)-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(2-propoxyphenyl)amino]methylidene]urea
3772-4469 Screening compound: 1-(4-chlorophenyl)-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(2-propoxyphenyl)amino]methylidene]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-4469
1-(4-chlorophenyl)-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(2-propoxyphenyl)amino]methylidene]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

3772-4469

Molecular Formula

C23H25ClN6O2 (C23 H25 ClN6 O2)

Compound Name

1-(4-chlorophenyl)-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(2-propoxyphenyl)amino]methylidene]urea

IUPAC name

1-(4-chlorophenyl)-3-[(Z)-[(46-dimethylpyrimidin-2-yl)amino][(2-propoxyphenyl)amino]methylidene]urea

SMILES

CCCOc(cccc1)c1N/C(/Nc1nc(C)cc(C)n1)=N/C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H25ClN6O2/c1-4-13-32-20-8-6-5-7-19(20)28-22(29-21-25-15(2)14-16(3)26-21)30-23(31)27-18-11-9-17(24)10-12-18/h5-12,14H,4,13H2,1-3H3,(H3,25,26,27,28,29,30,31)

InChI Key

RXJHIMCADRJSSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02140322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.224

Distribution Coefficient, logD

0.393

Water Solubility, LogSw

-5.57

Polar Surface Area

75.866

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3772-4469 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3772-4469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-4469?
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What is the minimum amount of 3772-4469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-4469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-4469
  • 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 3772-4469 available by request