1500-0492 Screening compound: 2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1500-0492 Screening compound: 2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1500-0492 Screening compound: 2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1500-0492
2-methylpropyl 6-methyl-4-(3-nitrophenyl)-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

1500-0492

Molecular Formula

C16H19N3O4S (C16 H19 N3 O4 S)

Compound Name

2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)COC(C(C(c1cc([N+]([O-])=O)ccc1)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C16H19N3O4S/c1-9(2)8-23-15(20)13-10(3)17-16(24)18-14(13)11-5-4-6-12(7-11)19(21)22/h4-7,9,14H,8H2,1-3H3,(H2,17,18,24)/t14-/m1/s1

InChI Key

CSPYARXGGMTLRL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00858003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.031

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.42

Polar Surface Area

77.185

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

1500-0492 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1500-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1500-0492?
Check Price and Availability of 1500-0492, 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 1500-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1500-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1500-0492
  • 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 1500-0492 available by request