V031-0600 Screening compound: PROPAN-2-YL 4-(4-{[(4-ETHOXYPHENYL)CARBAMOYL]AMINO}PHENYL)-1-ETHYL-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

V031-0600 Screening compound: PROPAN-2-YL 4-(4-{[(4-ETHOXYPHENYL)CARBAMOYL]AMINO}PHENYL)-1-ETHYL-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
V031-0600 Screening compound: PROPAN-2-YL 4-(4-{[(4-ETHOXYPHENYL)CARBAMOYL]AMINO}PHENYL)-1-ETHYL-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0600
PROPAN-2-YL 4-(4-{[(4-ETHOXYPHENYL)CARBAMOYL]AMINO}PHENYL)-1-ETHYL-6-METHYL-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

V031-0600

Molecular Formula

C26H32N4O4S (C26 H32 N4 O4 S)

Compound Name

PROPAN-2-YL 4-(4-{[(4-ETHOXYPHENYL)CARBAMOYL]AMINO}PHENYL)-1-ETHYL-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

IUPAC name

n/a

SMILES

CCN(C(C)=C(C(c(cc1)ccc1NC(Nc(cc1)ccc1OCC)=O)N1)C(OC(C)C)=O)C1=S

InChI

InChI=1S/C26H32N4O4S/c1-6-30-17(5)22(24(31)34-16(3)4)23(29-26(30)35)18-8-10-19(11-9-18)27-25(32)28-20-12-14-21(15-13-20)33-7-2/h8-16,23H,6-7H2,1-5H3,(H,29,35)(H2,27,28,32)/t23-/m1/s1

InChI Key

RDHPZOOAEZBNJI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19726527

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.282

Distribution Coefficient, logD

5.282

Water Solubility, LogSw

-5.05

Polar Surface Area

74.331

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V031-0600 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V031-0600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0600?
Check Price and Availability of V031-0600, 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 V031-0600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0600
  • 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 V031-0600 available by request