3802-0851 Screening compound: methyl 2-(4-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}benzoyloxy)propanoate

3802-0851 Screening compound: methyl 2-(4-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}benzoyloxy)propanoate
3802-0851 Screening compound: methyl 2-(4-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}benzoyloxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0851
methyl 2-(4-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}benzoyloxy)propanoate

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

3802-0851

Molecular Formula

C18H23N5O5 (C18 H23 N5 O5)

Compound Name

methyl 2-(4-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}benzoyloxy)propanoate

IUPAC name

methyl 2-(4-{[46-bis(dimethylamino)-135-triazin-2-yl]oxy}benzoyloxy)propanoate

SMILES

CC(C(OC)=O)OC(c(cc1)ccc1Oc1nc(N(C)C)nc(N(C)C)n1)=O

InChI

InChI=1S/C18H23N5O5/c1-11(14(24)26-6)27-15(25)12-7-9-13(10-8-12)28-18-20-16(22(2)3)19-17(21-18)23(4)5/h7-11H,1-6H3/t11-/m0/s1

InChI Key

LSYFTGBSFCXFHF-NSHDSACASA-N

MDL Number (MFCD)

MFCD02855647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.64

Polar Surface Area

81.710

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 3802-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0851?
Check Price and Availability of 3802-0851, 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 3802-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0851
  • 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 3802-0851 available by request