8007-3742 Screening compound: 3-(acetyloxy)-4-(4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl)phenyl acetate

8007-3742 Screening compound: 3-(acetyloxy)-4-(4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl)phenyl acetate
8007-3742 Screening compound: 3-(acetyloxy)-4-(4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3742
3-(acetyloxy)-4-(4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl)phenyl acetate

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

8007-3742

Molecular Formula

C17H22N2O4S (C17 H22 N2 O4 S)

Compound Name

3-(acetyloxy)-4-(4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl)phenyl acetate

IUPAC name

3-(acetyloxy)-4-(466-trimethyl-2-sulfanylidene-13-diazinan-4-yl)phenyl acetate

SMILES

CC(C)(CC(C)(c(ccc(OC(C)=O)c1)c1OC(C)=O)N1)NC1=S

InChI

InChI=1S/C17H22N2O4S/c1-10(20)22-12-6-7-13(14(8-12)23-11(2)21)17(5)9-16(3,4)18-15(24)19-17/h6-8H,9H2,1-5H3,(H2,18,19,24)/t17-/m0/s1

InChI Key

VRBHUQRIIFZWGJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00387051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.240

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-3.12

Polar Surface Area

64.358

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with 8007-3742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3742?
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What is the minimum amount of 8007-3742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3742
  • 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 8007-3742 available by request