8017-4378 Screening compound: N-[2-(4-bromo-3-chloroanilino)-5-fluoro-4-pyrimidinyl]-N-(4-bromo-3-chlorophenyl)amine

8017-4378 Screening compound: N-[2-(4-bromo-3-chloroanilino)-5-fluoro-4-pyrimidinyl]-N-(4-bromo-3-chlorophenyl)amine
8017-4378 Screening compound: N-[2-(4-bromo-3-chloroanilino)-5-fluoro-4-pyrimidinyl]-N-(4-bromo-3-chlorophenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4378
N-[2-(4-bromo-3-chloroanilino)-5-fluoro-4-pyrimidinyl]-N-(4-bromo-3-chlorophenyl)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

8017-4378

Molecular Formula

C16H9Br2Cl2FN4 (C16 H9 Br2 Cl2 FN4)

Compound Name

N-[2-(4-bromo-3-chloroanilino)-5-fluoro-4-pyrimidinyl]-N-(4-bromo-3-chlorophenyl)amine

IUPAC name

N2N4-bis(4-bromo-3-chlorophenyl)-5-fluoropyrimidine-24-diamine

SMILES

Fc1c(Nc(cc2)cc(Cl)c2Br)nc(Nc(cc2)cc(Cl)c2Br)nc1

InChI

InChI=1S/C16H9Br2Cl2FN4/c17-10-3-1-8(5-12(10)19)23-15-14(21)7-22-16(25-15)24-9-2-4-11(18)13(20)6-9/h1-7H,(H2,22,23,24,25)

InChI Key

PUKYCYSFZYGXLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.99

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.262

Distribution Coefficient, logD

7.256

Water Solubility, LogSw

-7.09

Polar Surface Area

38.930

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8017-4378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4378?
Check Price and Availability of 8017-4378, 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 8017-4378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4378
  • 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 8017-4378 available by request