D430-2176 Screening compound: 3-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea

D430-2176 Screening compound: 3-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea
D430-2176 Screening compound: 3-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-2176
3-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-(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

D430-2176

Molecular Formula

C23H26N6O (C23 H26 N6 O)

Compound Name

3-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea

IUPAC name

3-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea

SMILES

Cc(cc1)ccc1NC(Nc(cc1)ccc1Nc1nc(C)nc(N2CCCC2)c1)=O

InChI

InChI=1S/C23H26N6O/c1-16-5-7-19(8-6-16)27-23(30)28-20-11-9-18(10-12-20)26-21-15-22(25-17(2)24-21)29-13-3-4-14-29/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,25,26)(H2,27,28,30)

InChI Key

PTZJXRNXQLTIHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-5.32

Polar Surface Area

63.487

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D430-2176 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D430-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-2176?
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What is the minimum amount of D430-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-2176
  • 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 D430-2176 available by request