Y043-0030 Screening compound: 6-chloro-N-{3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl}-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide

Y043-0030 Screening compound: 6-chloro-N-{3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl}-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide
Y043-0030 Screening compound: 6-chloro-N-{3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl}-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0030
6-chloro-N-{3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl}-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide

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

Y043-0030

Molecular Formula

C19H20ClN5O2S (C19 H20 ClN5 O2 S)

Compound Name

6-chloro-N-{3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl}-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide

IUPAC name

3-({6-chloro-1H2H3H4H9H-pyrido[34-b]indole-2-carbonyl}amino)-N-(5-methyl-13-thiazol-2-yl)propanamide

SMILES

Cc1cnc(NC(CCNC(N(CC2)Cc3c2c(cc(cc2)Cl)c2[nH]3)=O)=O)s1

InChI

InChI=1S/C19H20ClN5O2S/c1-11-9-22-18(28-11)24-17(26)4-6-21-19(27)25-7-5-13-14-8-12(20)2-3-15(14)23-16(13)10-25/h2-3,8-9,23H,4-7,10H2,1H3,(H,21,27)(H,22,24,26)

InChI Key

ZYPHWMCKRPVOHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12209599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.218

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.49

Polar Surface Area

71.100

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

Y043-0030 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y043-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0030?
Check Price and Availability of Y043-0030, 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 Y043-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0030
  • 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 Y043-0030 available by request