V002-7775 Screening compound: propan-2-yl 4-(3-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V002-7775 Screening compound: propan-2-yl 4-(3-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V002-7775 Screening compound: propan-2-yl 4-(3-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7775
propan-2-yl 4-(3-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)-1,6-dimethyl-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

V002-7775

Molecular Formula

C23H24ClFN4O3S (C23 H24 ClFN4 O3 S)

Compound Name

propan-2-yl 4-(3-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-(3-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}phenyl)-16-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c1cccc(NC(Nc(cc2)cc(Cl)c2F)=O)c1)N1)=C(C)N(C)C1=S)=O

InChI

InChI=1S/C23H24ClFN4O3S/c1-12(2)32-21(30)19-13(3)29(4)23(33)28-20(19)14-6-5-7-15(10-14)26-22(31)27-16-8-9-18(25)17(24)11-16/h5-12,20H,1-4H3,(H,28,33)(H2,26,27,31)/t20-/m0/s1

InChI Key

LJHOFHRBYCOWJG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19723805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.326

Distribution Coefficient, logD

5.326

Water Solubility, LogSw

-5.98

Polar Surface Area

67.248

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V002-7775 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 V002-7775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7775?
Check Price and Availability of V002-7775, 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 V002-7775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7775
  • 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 V002-7775 available by request