K405-1083 Screening compound: N1,N1-dimethyl-N4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine

K405-1083 Screening compound: N1,N1-dimethyl-N4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine
K405-1083 Screening compound: N1,N1-dimethyl-N4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-1083
N1,N1-dimethyl-N4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine

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

K405-1083

Molecular Formula

C27H22F3N5 (C27 H22 F3 N5)

Compound Name

N1,N1-dimethyl-N4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine

IUPAC name

N1N1-dimethyl-N4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[23-d]pyrimidin-4-yl}benzene-14-diamine

SMILES

CN(C)c(cc1)ccc1Nc1c(c(-c2ccccc2)cn2-c3cccc(C(F)(F)F)c3)c2ncn1

InChI

InChI=1S/C27H22F3N5/c1-34(2)21-13-11-20(12-14-21)33-25-24-23(18-7-4-3-5-8-18)16-35(26(24)32-17-31-25)22-10-6-9-19(15-22)27(28,29)30/h3-17H,1-2H3,(H,31,32,33)

InChI Key

MABYUGVYODFUAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04450792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.870

Distribution Coefficient, logD

6.836

Water Solubility, LogSw

-6.47

Polar Surface Area

35.184

Acid Dissociation Constant (pKa)

19.40

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K405-1083 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K405-1083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-1083?
Check Price and Availability of K405-1083, 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 K405-1083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-1083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-1083
  • 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 K405-1083 available by request