0478-0639 Screening compound: N-(2,4-diaminophenyl)-4-(2-{4-[(2,4-diaminophenyl)carbamoyl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide

0478-0639 Screening compound: N-(2,4-diaminophenyl)-4-(2-{4-[(2,4-diaminophenyl)carbamoyl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide
0478-0639 Screening compound: N-(2,4-diaminophenyl)-4-(2-{4-[(2,4-diaminophenyl)carbamoyl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0639
N-(2,4-diaminophenyl)-4-(2-{4-[(2,4-diaminophenyl)carbamoyl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide

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

0478-0639

Molecular Formula

C29H24F6N6O2 (C29 H24 F6 N6 O2)

Compound Name

N-(2,4-diaminophenyl)-4-(2-{4-[(2,4-diaminophenyl)carbamoyl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide

IUPAC name

N-(24-diaminophenyl)-4-(2-{4-[(24-diaminophenyl)carbamoyl]phenyl}-111333-hexafluoropropan-2-yl)benzamide

SMILES

Nc(cc1)cc(N)c1NC(c1ccc(C(C(F)(F)F)(C(F)(F)F)c(cc2)ccc2C(Nc(ccc(N)c2)c2N)=O)cc1)=O

InChI

InChI=1S/C29H24F6N6O2/c30-28(31,32)27(29(33,34)35,17-5-1-15(2-6-17)25(42)40-23-11-9-19(36)13-21(23)38)18-7-3-16(4-8-18)26(43)41-24-12-10-20(37)14-22(24)39/h1-14H,36-39H2,(H,40,42)(H,41,43)

InChI Key

KTKQXPHHVYXAGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00311979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

10.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.656

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-4.21

Polar Surface Area

126.558

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

0478-0639 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0478-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0639?
Check Price and Availability of 0478-0639, 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 0478-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0639
  • 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 0478-0639 available by request