D437-0541 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide

D437-0541 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
D437-0541 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0541
N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide

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

D437-0541

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide

IUPAC name

N-[4-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]butanamide

SMILES

CCCC(Nc1nc(-c(cc2)cc(N3)c2OC(C)C3=O)cs1)=O

InChI

InChI=1S/C16H17N3O3S/c1-3-4-14(20)19-16-18-12(8-23-16)10-5-6-13-11(7-10)17-15(21)9(2)22-13/h5-9H,3-4H2,1-2H3,(H,17,21)(H,18,19,20)/t9-/m1/s1

InChI Key

RYJRWARISYVFFP-SECBINFHSA-N

MDL Number (MFCD)

MFCD10088402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.61

Polar Surface Area

65.771

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D437-0541 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D437-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0541?
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What is the minimum amount of D437-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0541
  • 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 D437-0541 available by request