V015-3315 Screening compound: propan-2-yl 1,6-dimethyl-2-sulfanylidene-4-{4-[2-(thiophen-2-yl)acetamido]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V015-3315 Screening compound: propan-2-yl 1,6-dimethyl-2-sulfanylidene-4-{4-[2-(thiophen-2-yl)acetamido]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V015-3315 Screening compound: propan-2-yl 1,6-dimethyl-2-sulfanylidene-4-{4-[2-(thiophen-2-yl)acetamido]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3315
propan-2-yl 1,6-dimethyl-2-sulfanylidene-4-{4-[2-(thiophen-2-yl)acetamido]phenyl}-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

V015-3315

Molecular Formula

C22H25N3O3S2 (C22 H25 N3 O3 S2)

Compound Name

propan-2-yl 1,6-dimethyl-2-sulfanylidene-4-{4-[2-(thiophen-2-yl)acetamido]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 16-dimethyl-2-sulfanylidene-4-{4-[2-(thiophen-2-yl)acetamido]phenyl}-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c(cc1)ccc1NC(Cc1cccs1)=O)N1)=C(C)N(C)C1=S)=O

InChI

InChI=1S/C22H25N3O3S2/c1-13(2)28-21(27)19-14(3)25(4)22(29)24-20(19)15-7-9-16(10-8-15)23-18(26)12-17-6-5-11-30-17/h5-11,13,20H,12H2,1-4H3,(H,23,26)(H,24,29)/t20-/m1/s1

InChI Key

GXKOLNUIEZAIRY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14243570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

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

3.138

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.34

Polar Surface Area

58.841

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V015-3315 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-3315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3315?
Check Price and Availability of V015-3315, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V015-3315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3315
  • 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 V015-3315 available by request