T609-0657 Screening compound: N-(2,5-dimethylbenzyl)-N-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]amine

T609-0657 Screening compound: N-(2,5-dimethylbenzyl)-N-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]amine
T609-0657 Screening compound: N-(2,5-dimethylbenzyl)-N-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound T609-0657
N-(2,5-dimethylbenzyl)-N-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]amine

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

T609-0657

Molecular Formula

C16H17N5 (C16 H17 N5)

Compound Name

N-(2,5-dimethylbenzyl)-N-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]amine

IUPAC name

N-[(25-dimethylphenyl)methyl]-6-(1H-imidazol-1-yl)pyrimidin-4-amine

SMILES

Cc1cc(CNc2cc(-n3cncc3)ncn2)c(C)cc1

InChI

InChI=1S/C16H17N5/c1-12-3-4-13(2)14(7-12)9-18-15-8-16(20-10-19-15)21-6-5-17-11-21/h3-8,10-11H,9H2,1-2H3,(H,18,19,20)

InChI Key

YBSJPAMTHNPDRL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.27

Polar Surface Area

43.039

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

T609-0657 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T609-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T609-0657?
Check Price and Availability of T609-0657, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T609-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T609-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T609-0657
  • 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 T609-0657 available by request