V004-9471 Screening compound: 2-methylpropyl 1-ethyl-4-(4-{[(4-ethylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V004-9471 Screening compound: 2-methylpropyl 1-ethyl-4-(4-{[(4-ethylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V004-9471 Screening compound: 2-methylpropyl 1-ethyl-4-(4-{[(4-ethylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9471
2-methylpropyl 1-ethyl-4-(4-{[(4-ethylphenyl)carbamoyl]amino}phenyl)-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

V004-9471

Molecular Formula

C27H34N4O3S (C27 H34 N4 O3 S)

Compound Name

2-methylpropyl 1-ethyl-4-(4-{[(4-ethylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 1-ethyl-4-(4-{[(4-ethylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCc(cc1)ccc1NC(Nc1ccc(C(C(C(OCC(C)C)=O)=C(C)N2CC)NC2=S)cc1)=O

InChI

InChI=1S/C27H34N4O3S/c1-6-19-8-12-21(13-9-19)28-26(33)29-22-14-10-20(11-15-22)24-23(25(32)34-16-17(3)4)18(5)31(7-2)27(35)30-24/h8-15,17,24H,6-7,16H2,1-5H3,(H,30,35)(H2,28,29,33)/t24-/m1/s1

InChI Key

SROJXZYZXPWWRG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19726267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.152

Distribution Coefficient, logD

6.152

Water Solubility, LogSw

-5.53

Polar Surface Area

67.904

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V004-9471 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V004-9471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9471?
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What is the minimum amount of V004-9471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9471
  • 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 V004-9471 available by request