3476-0539 Screening compound: 1,3-di-tert-butyl 2-[4-(dimethylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate

3476-0539 Screening compound: 1,3-di-tert-butyl 2-[4-(dimethylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate
3476-0539 Screening compound: 1,3-di-tert-butyl 2-[4-(dimethylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3476-0539
1,3-di-tert-butyl 2-[4-(dimethylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate

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

3476-0539

Molecular Formula

C28H35N5O4 (C28 H35 N5 O4)

Compound Name

1,3-di-tert-butyl 2-[4-(dimethylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate

IUPAC name

13-di-tert-butyl 2-[4-(dimethylamino)-6-(diphenylamino)-135-triazin-2-yl]propanedioate

SMILES

CC(C)(C)OC(C(C(OC(C)(C)C)=O)c1nc(N(c2ccccc2)c2ccccc2)nc(N(C)C)n1)=O

InChI

InChI=1S/C28H35N5O4/c1-27(2,3)36-23(34)21(24(35)37-28(4,5)6)22-29-25(32(7)8)31-26(30-22)33(19-15-11-9-12-16-19)20-17-13-10-14-18-20/h9-18,21H,1-8H3

InChI Key

OACOGHUEGQALOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01903318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.720

Distribution Coefficient, logD

6.720

Water Solubility, LogSw

-5.87

Polar Surface Area

72.165

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with 3476-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3476-0539?
Check Price and Availability of 3476-0539, 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 3476-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3476-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3476-0539
  • 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 3476-0539 available by request