C069-0670 Screening compound: N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

C069-0670 Screening compound: N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
C069-0670 Screening compound: N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C069-0670
N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

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

C069-0670

Molecular Formula

C18H26BrN3OS (C18 H26 BrN3 OS)

Compound Name

N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

IUPAC name

N-(4-bromo-2-methylphenyl)-4-(446-trimethyl-2-sulfanylidene-13-diazinan-1-yl)butanamide

SMILES

CC(CC(C)(C)N1)N(CCCC(Nc(cc2)c(C)cc2Br)=O)C1=S

InChI

InChI=1S/C18H26BrN3OS/c1-12-10-14(19)7-8-15(12)20-16(23)6-5-9-22-13(2)11-18(3,4)21-17(22)24/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,20,23)(H,21,24)/t13-/m0/s1

InChI Key

KXRQQFOOJVXJMQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14716447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.33

Polar Surface Area

36.427

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with C069-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C069-0670?
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What is the minimum amount of C069-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C069-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C069-0670
  • 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 C069-0670 available by request