8012-9367 Screening compound: 3-({4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{[4-(chlorodifluoromethoxy)phenyl]amino}-1,3,5-triazin-2-yl}amino)propan-1-ol

8012-9367 Screening compound: 3-({4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{[4-(chlorodifluoromethoxy)phenyl]amino}-1,3,5-triazin-2-yl}amino)propan-1-ol
8012-9367 Screening compound: 3-({4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{[4-(chlorodifluoromethoxy)phenyl]amino}-1,3,5-triazin-2-yl}amino)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9367
3-({4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{[4-(chlorodifluoromethoxy)phenyl]amino}-1,3,5-triazin-2-yl}amino)propan-1-ol

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

8012-9367

Molecular Formula

C27H36ClF2N7O2 (C27 H36 ClF2 N7 O2)

Compound Name

3-({4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{[4-(chlorodifluoromethoxy)phenyl]amino}-1,3,5-triazin-2-yl}amino)propan-1-ol

IUPAC name

3-({4-[4-(adamantan-1-yl)piperazin-1-yl]-6-{[4-(chlorodifluoromethoxy)phenyl]amino}-135-triazin-2-yl}amino)propan-1-ol

SMILES

OCCCNc1nc(Nc(cc2)ccc2OC(F)(F)Cl)nc(N(CC2)CCN2C2(CC(C3)C4)CC4CC3C2)n1

InChI

InChI=1S/C27H36ClF2N7O2/c28-27(29,30)39-22-4-2-21(3-5-22)32-24-33-23(31-6-1-11-38)34-25(35-24)36-7-9-37(10-8-36)26-15-18-12-19(16-26)14-20(13-18)17-26/h2-5,18-20,38H,1,6-17H2,(H2,31,32,33,34,35)

InChI Key

YFUYMLLGLJOELK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.661

Distribution Coefficient, logD

6.416

Water Solubility, LogSw

-6.49

Polar Surface Area

80.118

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 8012-9367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9367?
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What is the minimum amount of 8012-9367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9367
  • 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 8012-9367 available by request