V009-4028 Screening compound: propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V009-4028 Screening compound: propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V009-4028 Screening compound: propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4028
propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V009-4028

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 16-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)CC(Nc1cccc(C(C(C(OC(C)C)=O)=C(C)N2C)NC2=S)c1)=O

InChI

InChI=1S/C21H29N3O3S/c1-12(2)10-17(25)22-16-9-7-8-15(11-16)19-18(20(26)27-13(3)4)14(5)24(6)21(28)23-19/h7-9,11-13,19H,10H2,1-6H3,(H,22,25)(H,23,28)/t19-/m1/s1

InChI Key

SUBORUGXWRHEQU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19726245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-3.97

Polar Surface Area

58.095

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with V009-4028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4028?
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What is the minimum amount of V009-4028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4028
  • 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 V009-4028 available by request