M179-4001 Screening compound: 2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-propylacetamide

M179-4001 Screening compound: 2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-propylacetamide
M179-4001 Screening compound: 2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4001
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-propylacetamide

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

M179-4001

Molecular Formula

C16H19ClN4OS (C16 H19 ClN4 OS)

Compound Name

2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-propylacetamide

IUPAC name

2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-propylacetamide

SMILES

CCCNC(CSc1cc(NCc(cc2)ccc2Cl)ncn1)=O

InChI

InChI=1S/C16H19ClN4OS/c1-2-7-18-15(22)10-23-16-8-14(20-11-21-16)19-9-12-3-5-13(17)6-4-12/h3-6,8,11H,2,7,9-10H2,1H3,(H,18,22)(H,19,20,21)

InChI Key

ZMSAPFXNPBENQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.50

Polar Surface Area

54.524

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with M179-4001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4001?
Check Price and Availability of M179-4001, 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 M179-4001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4001
  • 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 M179-4001 available by request