V031-0413 Screening compound: methyl 6-(4-{[(2,3-dichlorophenyl)carbamoyl]amino}phenyl)-8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

V031-0413 Screening compound: methyl 6-(4-{[(2,3-dichlorophenyl)carbamoyl]amino}phenyl)-8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
V031-0413 Screening compound: methyl 6-(4-{[(2,3-dichlorophenyl)carbamoyl]amino}phenyl)-8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0413
methyl 6-(4-{[(2,3-dichlorophenyl)carbamoyl]amino}phenyl)-8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-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

V031-0413

Molecular Formula

C23H22Cl2N4O3S (C23 H22 Cl2 N4 O3 S)

Compound Name

methyl 6-(4-{[(2,3-dichlorophenyl)carbamoyl]amino}phenyl)-8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

methyl 6-(4-{[(23-dichlorophenyl)carbamoyl]amino}phenyl)-8-methyl-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CC(N=C1SCCCN1C1c(cc2)ccc2NC(Nc2cccc(Cl)c2Cl)=O)=C1C(OC)=O

InChI

InChI=1S/C23H22Cl2N4O3S/c1-13-18(21(30)32-2)20(29-11-4-12-33-23(29)26-13)14-7-9-15(10-8-14)27-22(31)28-17-6-3-5-16(24)19(17)25/h3,5-10,20H,4,11-12H2,1-2H3,(H2,27,28,31)/t20-/m0/s1

InChI Key

NYIGXAVGYKODTK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19735719

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.90

Polar Surface Area

64.948

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V031-0413 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V031-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0413?
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What is the minimum amount of V031-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0413
  • 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 V031-0413 available by request