6199-3290 Screening compound: (4-bromophenyl)methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate

6199-3290 Screening compound: (4-bromophenyl)methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
6199-3290 Screening compound: (4-bromophenyl)methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6199-3290
(4-bromophenyl)methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate

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

6199-3290

Molecular Formula

C24H17BrN2O3S (C24 H17 BrN2 O3 S)

Compound Name

(4-bromophenyl)methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate

IUPAC name

(4-bromophenyl)methyl 2-[(4-phenyl-13-thiazol-2-yl)carbamoyl]benzoate

SMILES

O=C(c(cccc1)c1C(OCc(cc1)ccc1Br)=O)Nc1nc(-c2ccccc2)cs1

InChI

InChI=1S/C24H17BrN2O3S/c25-18-12-10-16(11-13-18)14-30-23(29)20-9-5-4-8-19(20)22(28)27-24-26-21(15-31-24)17-6-2-1-3-7-17/h1-13,15H,14H2,(H,26,27,28)

InChI Key

NTZAZUXMTDVWMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03719014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.495

Distribution Coefficient, logD

6.493

Water Solubility, LogSw

-6.23

Polar Surface Area

53.962

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

6199-3290 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6199-3290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6199-3290?
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What is the minimum amount of 6199-3290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6199-3290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6199-3290
  • 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 6199-3290 available by request