K405-1016 Screening compound: 7-(4-bromophenyl)-5-phenyl-N-(3,3,5-trimethylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

K405-1016 Screening compound: 7-(4-bromophenyl)-5-phenyl-N-(3,3,5-trimethylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
K405-1016 Screening compound: 7-(4-bromophenyl)-5-phenyl-N-(3,3,5-trimethylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-1016
7-(4-bromophenyl)-5-phenyl-N-(3,3,5-trimethylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-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

K405-1016

Molecular Formula

C27H29BrN4 (C27 H29 BrN4)

Compound Name

7-(4-bromophenyl)-5-phenyl-N-(3,3,5-trimethylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

IUPAC name

7-(4-bromophenyl)-5-phenyl-N-(335-trimethylcyclohexyl)-7H-pyrrolo[23-d]pyrimidin-4-amine

SMILES

CC(C1)CC(C)(C)CC1Nc1c(c(-c2ccccc2)cn2-c(cc3)ccc3Br)c2ncn1

InChI

InChI=1S/C27H29BrN4/c1-18-13-21(15-27(2,3)14-18)31-25-24-23(19-7-5-4-6-8-19)16-32(26(24)30-17-29-25)22-11-9-20(28)10-12-22/h4-12,16-18,21H,13-15H2,1-3H3,(H,29,30,31)

InChI Key

DXEFNPCYGZGXET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04450615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.643

Distribution Coefficient, logD

7.618

Water Solubility, LogSw

-6.30

Polar Surface Area

33.426

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

K405-1016 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K405-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-1016?
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What is the minimum amount of K405-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-1016
  • 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 K405-1016 available by request